2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide

C11H17N3OS — CID 104872552

IUPAC2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
SMILESCCCC1CC1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C11H17N3OS/c1-3-4-7-5-8(7)14-10(15)9-6(2)13-11(12)16-9/h7-8H,3-5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyGQCGESQPPVUHCM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide (PubChem CID 104872552) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
PubChem CID104872552
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
SMILESCCCC1CC1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C11H17N3OS/c1-3-4-7-5-8(7)14-10(15)9-6(2)13-11(12)16-9/h7-8H,3-5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyGQCGESQPPVUHCM-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide (CID 104872552) is 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide is CCCC1CC1NC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GQCGESQPPVUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-4-7-5-8(7)14-10(15)9-6(2)13-11(12)16-9/h7-8H,3-5H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104872552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).