N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

C11H15N3OS — CID 103758628

IUPACN-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC#N)C(C)C)s1
InChIInChI=1S/C11H15N3OS/c1-7(2)14(6-5-12)11(15)10-8(3)13-9(4)16-10/h7H,6H2,1-4H3
InChIKeyTXSFRXDWRCCJMK-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.13
Rot. Bonds3

About N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 103758628) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID103758628
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC#N)C(C)C)s1
InChIInChI=1S/C11H15N3OS/c1-7(2)14(6-5-12)11(15)10-8(3)13-9(4)16-10/h7H,6H2,1-4H3
InChIKeyTXSFRXDWRCCJMK-UHFFFAOYSA-N
XLogP2.13
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 52564128
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065
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
3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207759
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
N-cyclopentyl-N-cyclopropyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 52575786
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 103799825
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47029764
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 103758628) is N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CC#N)C(C)C)s1.
What is the InChIKey of N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TXSFRXDWRCCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(2)14(6-5-12)11(15)10-8(3)13-9(4)16-10/h7H,6H2,1-4H3.
What are the key properties of N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103758628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).