2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

C10H11N5OS2 — CID 45494584

IUPAC2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2csc(NC3CC3)n2)s1
InChIInChI=1S/C10H11N5OS2/c1-5-14-15-10(18-5)13-8(16)7-4-17-9(12-7)11-6-2-3-6/h4,6H,2-3H2,1H3,(H,11,12)(H,13,15,16)
InChIKeyDILZDHDEAOSACW-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.13
Rot. Bonds4

About 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 45494584) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID45494584
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC Name2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2csc(NC3CC3)n2)s1
InChIInChI=1S/C10H11N5OS2/c1-5-14-15-10(18-5)13-8(16)7-4-17-9(12-7)11-6-2-3-6/h4,6H,2-3H2,1H3,(H,11,12)(H,13,15,16)
InChIKeyDILZDHDEAOSACW-UHFFFAOYSA-N
XLogP2.13
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 45494584) is 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1nnc(NC(=O)c2csc(NC3CC3)n2)s1.
What is the InChIKey of 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DILZDHDEAOSACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-5-14-15-10(18-5)13-8(16)7-4-17-9(12-7)11-6-2-3-6/h4,6H,2-3H2,1H3,(H,11,12)(H,13,15,16).
What are the key properties of 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45494584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).