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

C18H18ClN7OS — CID 53199958

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18ClN7OS/c1-12-15(28-18(23-12)24-14-4-3-13(19)11-22-14)16(27)25-7-9-26(10-8-25)17-20-5-2-6-21-17/h2-6,11H,7-10H2,1H3,(H,22,23,24)
InChIKeyBFRJEQZKPHXKBE-UHFFFAOYSA-N
MW415.91 g/mol
LogP3.00
Rot. Bonds4

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

[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 53199958) has the molecular formula C18H18ClN7OS and a molecular weight of 415.91 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID53199958
Molecular FormulaC18H18ClN7OS
Molecular Weight415.91 g/mol
Exact Mass415.10
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18ClN7OS/c1-12-15(28-18(23-12)24-14-4-3-13(19)11-22-14)16(27)25-7-9-26(10-8-25)17-20-5-2-6-21-17/h2-6,11H,7-10H2,1H3,(H,22,23,24)
InChIKeyBFRJEQZKPHXKBE-UHFFFAOYSA-N
XLogP3.00
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53365364
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53200014
2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53200011
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
[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110387114
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647717
1-(4-chlorophenyl)-3-[5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897564
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42569652
1-(4-chlorophenyl)-3-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897565
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 53199958) is [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-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-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BFRJEQZKPHXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7OS/c1-12-15(28-18(23-12)24-14-4-3-13(19)11-22-14)16(27)25-7-9-26(10-8-25)17-20-5-2-6-21-17/h2-6,11H,7-10H2,1H3,(H,22,23,24).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 415.91 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53199958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).