N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide

C10H10ClN5OS — CID 116798479

IUPACN-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H10ClN5OS/c1-5(2)7-8(18-16-15-7)9(17)13-6-3-4-12-10(11)14-6/h3-5H,1-2H3,(H,12,13,14,17)
InChIKeyXHYCHUKTBNETGH-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.36
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 116798479) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID116798479
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC NameN-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H10ClN5OS/c1-5(2)7-8(18-16-15-7)9(17)13-6-3-4-12-10(11)14-6/h3-5H,1-2H3,(H,12,13,14,17)
InChIKeyXHYCHUKTBNETGH-UHFFFAOYSA-N
XLogP2.36
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 116798479) is N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is XHYCHUKTBNETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-5(2)7-8(18-16-15-7)9(17)13-6-3-4-12-10(11)14-6/h3-5H,1-2H3,(H,12,13,14,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 116798479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).