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

C10H14ClN3OS — CID 80617669

IUPAC5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3OS/c1-6(2)14(5-7-3-4-7)9(15)8-12-13-10(11)16-8/h6-7H,3-5H2,1-2H3
InChIKeyPVSDYYWCSNSWKI-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.45
Rot. Bonds4

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

5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617669) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617669
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3OS/c1-6(2)14(5-7-3-4-7)9(15)8-12-13-10(11)16-8/h6-7H,3-5H2,1-2H3
InChIKeyPVSDYYWCSNSWKI-UHFFFAOYSA-N
XLogP2.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (CID 80617669) is 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is CC(C)N(CC1CC1)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PVSDYYWCSNSWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-6(2)14(5-7-3-4-7)9(15)8-12-13-10(11)16-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).