4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide

C10H10Cl2N4OS — CID 78840630

IUPAC4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(Cl)c(Cl)[nH]2)s1
InChIInChI=1S/C10H10Cl2N4OS/c1-2-3-7-15-16-10(18-7)14-9(17)6-4-5(11)8(12)13-6/h4,13H,2-3H2,1H3,(H,14,16,17)
InChIKeySCCBASMJNGVCEL-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.38
Rot. Bonds4

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

4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 78840630) has the molecular formula C10H10Cl2N4OS and a molecular weight of 305.19 g/mol. Its IUPAC name is 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID78840630
Molecular FormulaC10H10Cl2N4OS
Molecular Weight305.19 g/mol
Exact Mass304.00
IUPAC Name4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(Cl)c(Cl)[nH]2)s1
InChIInChI=1S/C10H10Cl2N4OS/c1-2-3-7-15-16-10(18-7)14-9(17)6-4-5(11)8(12)13-6/h4,13H,2-3H2,1H3,(H,14,16,17)
InChIKeySCCBASMJNGVCEL-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
CID 78875092
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 78840630) is 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide is CCCc1nnc(NC(=O)c2cc(Cl)c(Cl)[nH]2)s1.
What is the InChIKey of 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SCCBASMJNGVCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4OS/c1-2-3-7-15-16-10(18-7)14-9(17)6-4-5(11)8(12)13-6/h4,13H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 305.19 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78840630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).