4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

C19H21N5O3S — CID 154741661

IUPAC4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H21N5O3S/c1-4-5-12-15(10(3)25)9(2)22-16(12)18(27)24-19-23-14(8-28-19)11-6-13(17(20)26)21-7-11/h6-8,21-22H,4-5H2,1-3H3,(H2,20,26)(H,23,24,27)
InChIKeyDERVZIXNJATLDO-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.28
Rot. Bonds7

About 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 154741661) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID154741661
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H21N5O3S/c1-4-5-12-15(10(3)25)9(2)22-16(12)18(27)24-19-23-14(8-28-19)11-6-13(17(20)26)21-7-11/h6-8,21-22H,4-5H2,1-3H3,(H2,20,26)(H,23,24,27)
InChIKeyDERVZIXNJATLDO-UHFFFAOYSA-N
XLogP3.28
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide
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N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
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N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
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4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
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4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
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CID 37139611
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
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4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55530961
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (CID 154741661) is 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is DERVZIXNJATLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-4-5-12-15(10(3)25)9(2)22-16(12)18(27)24-19-23-14(8-28-19)11-6-13(17(20)26)21-7-11/h6-8,21-22H,4-5H2,1-3H3,(H2,20,26)(H,23,24,27).
What are the key properties of 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 154741661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).