N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide

C7H9N3O2S — CID 130610590

IUPACN-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
SMILESCc1nc(C)c(C(=O)NNC=O)s1
InChIInChI=1S/C7H9N3O2S/c1-4-6(13-5(2)9-4)7(12)10-8-3-11/h3H,1-2H3,(H,8,11)(H,10,12)
InChIKeyWATJPOQAWLBWFR-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.15
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide

N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide (PubChem CID 130610590) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
PubChem CID130610590
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
SMILESCc1nc(C)c(C(=O)NNC=O)s1
InChIInChI=1S/C7H9N3O2S/c1-4-6(13-5(2)9-4)7(12)10-8-3-11/h3H,1-2H3,(H,8,11)(H,10,12)
InChIKeyWATJPOQAWLBWFR-UHFFFAOYSA-N
XLogP0.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
2,4-dimethyl-N-prop-2-enylsulfonyl-1,3-thiazole-5-carboxamide
CID 75482966
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 115594438
N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43389612

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide (CID 130610590) is N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide is Cc1nc(C)c(C(=O)NNC=O)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide?
The InChIKey is WATJPOQAWLBWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4-6(13-5(2)9-4)7(12)10-8-3-11/h3H,1-2H3,(H,8,11)(H,10,12).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide?
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide has a molecular weight of 199.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide is sourced from PubChem (CID 130610590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).