[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone

C17H18N4OS2 — CID 120905600

IUPAC[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone
SMILESNc1ncc(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)s1
InChIInChI=1S/C17H18N4OS2/c18-17-19-10-13(23-17)11-20-5-7-21(8-6-20)16(22)15-9-12-3-1-2-4-14(12)24-15/h1-4,9-10H,5-8,11H2,(H2,18,19)
InChIKeyYSNSOBDSENKEEH-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.90
Rot. Bonds3

About [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone

[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone (PubChem CID 120905600) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone
PubChem CID120905600
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone
SMILESNc1ncc(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)s1
InChIInChI=1S/C17H18N4OS2/c18-17-19-10-13(23-17)11-20-5-7-21(8-6-20)16(22)15-9-12-3-1-2-4-14(12)24-15/h1-4,9-10H,5-8,11H2,(H2,18,19)
InChIKeyYSNSOBDSENKEEH-UHFFFAOYSA-N
XLogP2.90
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 120899146
1-benzothiophen-2-yl-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3853391
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 120899361
1-benzothiophen-2-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80660821
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120858098
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 120902661
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
CID 120903889
1-benzothiophen-2-yl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336725
1-benzothiophen-2-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308320
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 120898176

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone?
The IUPAC name of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone (CID 120905600) is [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone?
The canonical SMILES for [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone is Nc1ncc(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)s1.
What is the InChIKey of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone?
The InChIKey is YSNSOBDSENKEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c18-17-19-10-13(23-17)11-20-5-7-21(8-6-20)16(22)15-9-12-3-1-2-4-14(12)24-15/h1-4,9-10H,5-8,11H2,(H2,18,19).
What are the key properties of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone?
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone has a molecular weight of 358.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 120905600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).