4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide

C10H9ClN4OS — CID 29412076

IUPAC4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H9ClN4OS/c11-6-3-7(12-4-6)8(16)13-10-15-14-9(17-10)5-1-2-5/h3-5,12H,1-2H2,(H,13,15,16)
InChIKeyGAKSDIMBHMJKEK-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 29412076) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID29412076
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H9ClN4OS/c11-6-3-7(12-4-6)8(16)13-10-15-14-9(17-10)5-1-2-5/h3-5,12H,1-2H2,(H,13,15,16)
InChIKeyGAKSDIMBHMJKEK-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 17402298
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide
CID 2814043
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2669775
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 29412076) is 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is GAKSDIMBHMJKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-6-3-7(12-4-6)8(16)13-10-15-14-9(17-10)5-1-2-5/h3-5,12H,1-2H2,(H,13,15,16).
What are the key properties of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 268.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 29412076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).