N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C10H13N3OS — CID 65199875

IUPACN-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CC#N)C(C)C)cs1
InChIInChI=1S/C10H13N3OS/c1-7(2)13(5-4-11)10(14)9-6-15-8(3)12-9/h6-7H,5H2,1-3H3
InChIKeyMETFFAYUOFNYCV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds3

About N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 65199875) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID65199875
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CC#N)C(C)C)cs1
InChIInChI=1S/C10H13N3OS/c1-7(2)13(5-4-11)10(14)9-6-15-8(3)12-9/h6-7H,5H2,1-3H3
InChIKeyMETFFAYUOFNYCV-UHFFFAOYSA-N
XLogP1.83
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061
N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 103758628
4-chloro-N-(cyanomethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 103758603
3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanenitrile
CID 82414227
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 65198386
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 65199404
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 65200054
2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130906323
N-(cyanomethyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121391
N-(cyanomethyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 103957506
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 65199875) is N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CC#N)C(C)C)cs1.
What is the InChIKey of N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is METFFAYUOFNYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(2)13(5-4-11)10(14)9-6-15-8(3)12-9/h6-7H,5H2,1-3H3.
What are the key properties of N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).