N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide

C13H16N4O3S — CID 106166200

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCC(O)C(N)=O)n(C)c2)cs1
InChIInChI=1S/C13H16N4O3S/c1-7-16-9(6-21-7)8-3-10(17(2)5-8)13(20)15-4-11(18)12(14)19/h3,5-6,11,18H,4H2,1-2H3,(H2,14,19)(H,15,20)
InChIKeyKOUCNCMUGONUJH-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.03
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide (PubChem CID 106166200) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
PubChem CID106166200
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCC(O)C(N)=O)n(C)c2)cs1
InChIInChI=1S/C13H16N4O3S/c1-7-16-9(6-21-7)8-3-10(17(2)5-8)13(20)15-4-11(18)12(14)19/h3,5-6,11,18H,4H2,1-2H3,(H2,14,19)(H,15,20)
InChIKeyKOUCNCMUGONUJH-UHFFFAOYSA-N
XLogP0.03
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]propanoic acid
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1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide
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CID 27009458
1-methyl-N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
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[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]methanone
CID 79027845
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 25324293
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 42922934
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
(1-anilino-1-oxopropan-2-yl) 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide (CID 106166200) is N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide is Cc1nc(-c2cc(C(=O)NCC(O)C(N)=O)n(C)c2)cs1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is KOUCNCMUGONUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-7-16-9(6-21-7)8-3-10(17(2)5-8)13(20)15-4-11(18)12(14)19/h3,5-6,11,18H,4H2,1-2H3,(H2,14,19)(H,15,20).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 106166200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).