[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H19ClN6OS — CID 53365364

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H19ClN6OS/c1-13-17(28-19(23-13)24-15-6-5-14(20)12-22-15)18(27)26-10-8-25(9-11-26)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3,(H,22,23,24)
InChIKeyDNKNBXLQCJNUMQ-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.60
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53365364) has the molecular formula C19H19ClN6OS and a molecular weight of 414.92 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53365364
Molecular FormulaC19H19ClN6OS
Molecular Weight414.92 g/mol
Exact Mass414.10
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H19ClN6OS/c1-13-17(28-19(23-13)24-15-6-5-14(20)12-22-15)18(27)26-10-8-25(9-11-26)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3,(H,22,23,24)
InChIKeyDNKNBXLQCJNUMQ-UHFFFAOYSA-N
XLogP3.60
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53199958
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53200014
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 126776097
2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53200011
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17250311
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
1-(4-chlorophenyl)-3-[5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897564
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53365364) is [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DNKNBXLQCJNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6OS/c1-13-17(28-19(23-13)24-15-6-5-14(20)12-22-15)18(27)26-10-8-25(9-11-26)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3,(H,22,23,24).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 414.92 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53365364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).