2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

C11H16N2OS — CID 167323012

IUPAC2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(CC2CC2)s1
InChIInChI=1S/C11H16N2OS/c1-7(2)13-11(14)9-6-12-10(15-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRRDRLWYLERELDZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.23
Rot. Bonds4

About 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 167323012) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID167323012
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(CC2CC2)s1
InChIInChI=1S/C11H16N2OS/c1-7(2)13-11(14)9-6-12-10(15-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRRDRLWYLERELDZ-UHFFFAOYSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 167323012) is 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1cnc(CC2CC2)s1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RRDRLWYLERELDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(2)13-11(14)9-6-12-10(15-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).