N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen

C9H16N2OS — CID 176998084

IUPACN-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen
SMILESCCNC(=O)c1nc(C(C)C)cs1.[H][H]
InChIInChI=1S/C9H14N2OS.H2/c1-4-10-8(12)9-11-7(5-13-9)6(2)3;/h5-6H,4H2,1-3H3,(H,10,12);1H
InChIKeyLEUWTISETPHNHM-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.26
Rot. Bonds3

About N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen

N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen (PubChem CID 176998084) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen
PubChem CID176998084
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen
SMILESCCNC(=O)c1nc(C(C)C)cs1.[H][H]
InChIInChI=1S/C9H14N2OS.H2/c1-4-10-8(12)9-11-7(5-13-9)6(2)3;/h5-6H,4H2,1-3H3,(H,10,12);1H
InChIKeyLEUWTISETPHNHM-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen?
The IUPAC name of N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen (CID 176998084) is N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen is CCNC(=O)c1nc(C(C)C)cs1.[H][H].
What is the InChIKey of N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen?
The InChIKey is LEUWTISETPHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.H2/c1-4-10-8(12)9-11-7(5-13-9)6(2)3;/h5-6H,4H2,1-3H3,(H,10,12);1H.
What are the key properties of N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen?
N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen has a molecular weight of 200.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 176998084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).