[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone

C19H19ClN4O3S3 — CID 139897419

IUPAC[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone
SMILESO=C(c1nc2c(s1)CCCN2)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C19H19ClN4O3S3/c20-13-4-3-12-10-16(28-15(12)11-13)30(26,27)24-8-6-23(7-9-24)19(25)18-22-17-14(29-18)2-1-5-21-17/h3-4,10-11,21H,1-2,5-9H2
InChIKeyDLPAMEYPERTGFD-UHFFFAOYSA-N
MW483.04 g/mol
LogP3.52
Rot. Bonds3

About [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone

[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone (PubChem CID 139897419) has the molecular formula C19H19ClN4O3S3 and a molecular weight of 483.04 g/mol. Its IUPAC name is [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone
PubChem CID139897419
Molecular FormulaC19H19ClN4O3S3
Molecular Weight483.04 g/mol
Exact Mass482.03
IUPAC Name[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone
SMILESO=C(c1nc2c(s1)CCCN2)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C19H19ClN4O3S3/c20-13-4-3-12-10-16(28-15(12)11-13)30(26,27)24-8-6-23(7-9-24)19(25)18-22-17-14(29-18)2-1-5-21-17/h3-4,10-11,21H,1-2,5-9H2
InChIKeyDLPAMEYPERTGFD-UHFFFAOYSA-N
XLogP3.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.04
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone with MolForge

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Related Compounds

tert-butyl 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazine-1-carbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
CID 22711303
[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22710957
[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(5,6-dimethyl-4,7-dihydro-[1,3]oxazolo[4,5-d]pyridazin-2-yl)methanone
CID 139897799
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 139897057
[4-[(6-ethynyl-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(5-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 139898126
(6-amino-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[(6-ethynyl-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]methanone
CID 22710061
2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]ethanethioamide
CID 86592560
[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628244
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892
3-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 22711377
methyl 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazine-1-carboxylate
CID 57143852

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone?
The IUPAC name of [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone (CID 139897419) is [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone is O=C(c1nc2c(s1)CCCN2)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone?
The InChIKey is DLPAMEYPERTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S3/c20-13-4-3-12-10-16(28-15(12)11-13)30(26,27)24-8-6-23(7-9-24)19(25)18-22-17-14(29-18)2-1-5-21-17/h3-4,10-11,21H,1-2,5-9H2.
What are the key properties of [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone?
[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone has a molecular weight of 483.04 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridin-2-yl)methanone is sourced from PubChem (CID 139897419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).