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

C12H19N3OS — CID 45494389

IUPAC2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC2CC2)sc1C(=O)NCC(C)C
InChIInChI=1S/C12H19N3OS/c1-7(2)6-13-11(16)10-8(3)14-12(17-10)15-9-4-5-9/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyJYTNETXCRGRSBH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.41
Rot. Bonds5

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

2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 45494389) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID45494389
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC2CC2)sc1C(=O)NCC(C)C
InChIInChI=1S/C12H19N3OS/c1-7(2)6-13-11(16)10-8(3)14-12(17-10)15-9-4-5-9/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyJYTNETXCRGRSBH-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 45494389) is 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(NC2CC2)sc1C(=O)NCC(C)C.
What is the InChIKey of 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JYTNETXCRGRSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7(2)6-13-11(16)10-8(3)14-12(17-10)15-9-4-5-9/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45494389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).