N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C11H17N3OS — CID 103807307

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(CN)C2CC2)s1
InChIInChI=1S/C11H17N3OS/c1-6-10(16-7(2)13-6)11(15)14-9(5-12)8-3-4-8/h8-9H,3-5,12H2,1-2H3,(H,14,15)
InChIKeyPVCZCQKWCOPEAR-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.23
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 103807307) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID103807307
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(CN)C2CC2)s1
InChIInChI=1S/C11H17N3OS/c1-6-10(16-7(2)13-6)11(15)14-9(5-12)8-3-4-8/h8-9H,3-5,12H2,1-2H3,(H,14,15)
InChIKeyPVCZCQKWCOPEAR-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 103807307) is N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(CN)C2CC2)s1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is PVCZCQKWCOPEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-6-10(16-7(2)13-6)11(15)14-9(5-12)8-3-4-8/h8-9H,3-5,12H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103807307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).