2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide

C18H19ClN6O2S — CID 135186929

IUPAC2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cnc(CN4CCNCC4)s3)ccc2Cl)co1
InChIInChI=1S/C18H19ClN6O2S/c19-12-2-1-11(7-13(12)23-17(26)14-10-27-18(20)24-14)15-8-22-16(28-15)9-25-5-3-21-4-6-25/h1-2,7-8,10,21H,3-6,9H2,(H2,20,24)(H,23,26)
InChIKeySEHQVLOJYJIKEL-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.69
Rot. Bonds5

About 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186929) has the molecular formula C18H19ClN6O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186929
Molecular FormulaC18H19ClN6O2S
Molecular Weight418.91 g/mol
Exact Mass418.10
IUPAC Name2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cnc(CN4CCNCC4)s3)ccc2Cl)co1
InChIInChI=1S/C18H19ClN6O2S/c19-12-2-1-11(7-13(12)23-17(26)14-10-27-18(20)24-14)15-8-22-16(28-15)9-25-5-3-21-4-6-25/h1-2,7-8,10,21H,3-6,9H2,(H2,20,24)(H,23,26)
InChIKeySEHQVLOJYJIKEL-UHFFFAOYSA-N
XLogP2.69
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]phenyl]ethanone
CID 162216229
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 135198585
2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 146263255
2-amino-N-[2-chloro-5-[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135198519
2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257779
2-amino-N-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257772
2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186965
N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42855773
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
CID 3857405
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
3,4-dichloro-N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride
CID 142459212
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186929) is 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)Nc2cc(-c3cnc(CN4CCNCC4)s3)ccc2Cl)co1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SEHQVLOJYJIKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S/c19-12-2-1-11(7-13(12)23-17(26)14-10-27-18(20)24-14)15-8-22-16(28-15)9-25-5-3-21-4-6-25/h1-2,7-8,10,21H,3-6,9H2,(H2,20,24)(H,23,26).
What are the key properties of 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).