N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide

C9H12N2OS — CID 59217984

IUPACN,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
SMILESC/C=C\c1cnc(C(=O)N(C)C)s1
InChIInChI=1S/C9H12N2OS/c1-4-5-7-6-10-8(13-7)9(12)11(2)3/h4-6H,1-3H3/b5-4-
InChIKeySDJYWDGLSHMLPU-PLNGDYQASA-N
MW196.28 g/mol
LogP1.88
Rot. Bonds2

About N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide

N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide (PubChem CID 59217984) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
PubChem CID59217984
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
SMILESC/C=C\c1cnc(C(=O)N(C)C)s1
InChIInChI=1S/C9H12N2OS/c1-4-5-7-6-10-8(13-7)9(12)11(2)3/h4-6H,1-3H3/b5-4-
InChIKeySDJYWDGLSHMLPU-PLNGDYQASA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide (CID 59217984) is N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide is C/C=C\c1cnc(C(=O)N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
The InChIKey is SDJYWDGLSHMLPU-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2OS/c1-4-5-7-6-10-8(13-7)9(12)11(2)3/h4-6H,1-3H3/b5-4-.
What are the key properties of N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide?
N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 59217984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).