4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C17H23N5O2S — CID 119702128

IUPAC4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C1CCNCC1
InChIInChI=1S/C17H23N5O2S/c1-10(11-2-4-19-5-3-11)6-15(23)22-17-21-14(9-25-17)12-7-13(16(18)24)20-8-12/h7-11,19-20H,2-6H2,1H3,(H2,18,24)(H,21,22,23)
InChIKeyINJIDNIKXUWJDQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.20
Rot. Bonds6

About 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 119702128) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID119702128
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C1CCNCC1
InChIInChI=1S/C17H23N5O2S/c1-10(11-2-4-19-5-3-11)6-15(23)22-17-21-14(9-25-17)12-7-13(16(18)24)20-8-12/h7-11,19-20H,2-6H2,1H3,(H2,18,24)(H,21,22,23)
InChIKeyINJIDNIKXUWJDQ-UHFFFAOYSA-N
XLogP2.20
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409
4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119702123
4-[2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 98785729
4-[2-[[2-(3-methylbutanoylamino)-2-phenylacetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 56551186
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119676255
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
(2S)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 167814774
4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 120984867
4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151893
4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134053369

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 119702128) is 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is CC(CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C1CCNCC1.
What is the InChIKey of 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is INJIDNIKXUWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-10(11-2-4-19-5-3-11)6-15(23)22-17-21-14(9-25-17)12-7-13(16(18)24)20-8-12/h7-11,19-20H,2-6H2,1H3,(H2,18,24)(H,21,22,23).
What are the key properties of 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119702128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).