N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C14H19N3O2S — CID 110205611

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C14H19N3O2S/c1-9(2)11(8-18)16-13(19)12-10(3)15-14(20-12)17-6-4-5-7-17/h4-7,9,11,18H,8H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyPJLWZJFYXNYZEL-LLVKDONJSA-N
MW293.39 g/mol
LogP1.99
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 110205611) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID110205611
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C14H19N3O2S/c1-9(2)11(8-18)16-13(19)12-10(3)15-14(20-12)17-6-4-5-7-17/h4-7,9,11,18H,8H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyPJLWZJFYXNYZEL-LLVKDONJSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 45490970
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79249595
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 124848878
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 75490678
4-methyl-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
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N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42569304
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 122263393
4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 110205611) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PJLWZJFYXNYZEL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(2)11(8-18)16-13(19)12-10(3)15-14(20-12)17-6-4-5-7-17/h4-7,9,11,18H,8H2,1-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110205611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).