3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C20H19N5OS — CID 128962918

IUPAC3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CC(c1ccsc1)n1cccc1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H19N5OS/c26-20(11-19(17-7-10-27-13-17)24-8-1-2-9-24)23-18-5-3-16(4-6-18)12-25-15-21-14-22-25/h1-10,13-15,19H,11-12H2,(H,23,26)
InChIKeyLPKAUFFQMLNIPA-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.81
Rot. Bonds7

About 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 128962918) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID128962918
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CC(c1ccsc1)n1cccc1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H19N5OS/c26-20(11-19(17-7-10-27-13-17)24-8-1-2-9-24)23-18-5-3-16(4-6-18)12-25-15-21-14-22-25/h1-10,13-15,19H,11-12H2,(H,23,26)
InChIKeyLPKAUFFQMLNIPA-UHFFFAOYSA-N
XLogP3.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434027
N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 121240660
(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432083
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431879
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 32634705
3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 128962918) is 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is O=C(CC(c1ccsc1)n1cccc1)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is LPKAUFFQMLNIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20(11-19(17-7-10-27-13-17)24-8-1-2-9-24)23-18-5-3-16(4-6-18)12-25-15-21-14-22-25/h1-10,13-15,19H,11-12H2,(H,23,26).
What are the key properties of 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 377.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 128962918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).