(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C14H14N4OS — CID 125431879

IUPAC(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)Nc1ncc[nH]1
InChIInChI=1S/C14H14N4OS/c19-13(17-14-15-4-5-16-14)9-12(11-3-8-20-10-11)18-6-1-2-7-18/h1-8,10,12H,9H2,(H2,15,16,17,19)/t12-/m1/s1
InChIKeyDYRFCYXWIJNQGI-GFCCVEGCSA-N
MW286.36 g/mol
LogP2.89
Rot. Bonds5

About (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125431879) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125431879
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)Nc1ncc[nH]1
InChIInChI=1S/C14H14N4OS/c19-13(17-14-15-4-5-16-14)9-12(11-3-8-20-10-11)18-6-1-2-7-18/h1-8,10,12H,9H2,(H2,15,16,17,19)/t12-/m1/s1
InChIKeyDYRFCYXWIJNQGI-GFCCVEGCSA-N
XLogP2.89
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 125434279
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434027
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963509
(3S)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431340
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962696
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 128962918

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125431879) is (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ncc[nH]1.
What is the InChIKey of (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is DYRFCYXWIJNQGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-13(17-14-15-4-5-16-14)9-12(11-3-8-20-10-11)18-6-1-2-7-18/h1-8,10,12H,9H2,(H2,15,16,17,19)/t12-/m1/s1.
What are the key properties of (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 286.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125431879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).