N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide

C10H16ClN3OS — CID 104555923

IUPACN-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)C(C)CCl
InChIInChI=1S/C10H16ClN3OS/c1-6(2)8-9(16-13-12-8)10(15)14(4)7(3)5-11/h6-7H,5H2,1-4H3
InChIKeyRHKCORCTCSPDDF-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.36
Rot. Bonds4

About N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide

N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 104555923) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID104555923
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC NameN-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)C(C)CCl
InChIInChI=1S/C10H16ClN3OS/c1-6(2)8-9(16-13-12-8)10(15)14(4)7(3)5-11/h6-7H,5H2,1-4H3
InChIKeyRHKCORCTCSPDDF-UHFFFAOYSA-N
XLogP2.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 104555923) is N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is RHKCORCTCSPDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-6(2)8-9(16-13-12-8)10(15)14(4)7(3)5-11/h6-7H,5H2,1-4H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 261.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 104555923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).