N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C14H19N3OS — CID 53134338

IUPACN,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1sc(-n2cccc2)nc1C(C)C
InChIInChI=1S/C14H19N3OS/c1-9(2)11-12(13(18)15-10(3)4)19-14(16-11)17-7-5-6-8-17/h5-10H,1-4H3,(H,15,18)
InChIKeyPCDCXQZTLRBNHZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.20
Rot. Bonds4

About N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134338) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134338
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1sc(-n2cccc2)nc1C(C)C
InChIInChI=1S/C14H19N3OS/c1-9(2)11-12(13(18)15-10(3)4)19-14(16-11)17-7-5-6-8-17/h5-10H,1-4H3,(H,15,18)
InChIKeyPCDCXQZTLRBNHZ-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481312
ethyl 4-({[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3237876
N-[(4-fluorophenyl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 20889844
4-ethyl-N-(2-fluorophenyl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 53134303
4-ethyl-N-(3-fluorophenyl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 53134304
4-ethyl-N-(4-fluorophenyl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 53134305
N-(2-Fluorophenyl)-4-(propan-2-YL)-2-(1H-pyrrol-1-YL)-1,3-thiazole-5-carboxamide
CID 53134326
N-(3-Fluoro-4-methylphenyl)-4-(propan-2-YL)-2-(1H-pyrrol-1-YL)-1,3-thiazole-5-carboxamide
CID 53134331
N-(3-ethylphenyl)-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 6623184
4-methyl-N-(3-phenylpropyl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 20889831
4-Methyl-N-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-YL]pyridin-2-amine
CID 49661100

Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134338) is N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1sc(-n2cccc2)nc1C(C)C.
What is the InChIKey of N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PCDCXQZTLRBNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)11-12(13(18)15-10(3)4)19-14(16-11)17-7-5-6-8-17/h5-10H,1-4H3,(H,15,18).
What are the key properties of N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-di(propan-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).