5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C9H12ClN3OS — CID 80618198

IUPAC5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(CC1CC1)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3OS/c1-5(4-6-2-3-6)11-7(14)8-12-13-9(10)15-8/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyWTONTXOGDKGYNI-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.11
Rot. Bonds4

About 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618198) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618198
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(CC1CC1)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3OS/c1-5(4-6-2-3-6)11-7(14)8-12-13-9(10)15-8/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyWTONTXOGDKGYNI-UHFFFAOYSA-N
XLogP2.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80618198) is 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CC(CC1CC1)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WTONTXOGDKGYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-5(4-6-2-3-6)11-7(14)8-12-13-9(10)15-8/h5-6H,2-4H2,1H3,(H,11,14).
What are the key properties of 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).