N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide

C6H8N2OS — CID 3797184

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)formamide
SMILESCc1nc(NC=O)sc1C
InChIInChI=1S/C6H8N2OS/c1-4-5(2)10-6(8-4)7-3-9/h3H,1-2H3,(H,7,8,9)
InChIKeyBSZHOUVFAYBUQK-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.33
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide (PubChem CID 3797184) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)formamide
PubChem CID3797184
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)formamide
SMILESCc1nc(NC=O)sc1C
InChIInChI=1S/C6H8N2OS/c1-4-5(2)10-6(8-4)7-3-9/h3H,1-2H3,(H,7,8,9)
InChIKeyBSZHOUVFAYBUQK-UHFFFAOYSA-N
XLogP1.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,5-dimethyl-1,3-thiazole
CID 73238
N,N,4,5-tetramethyl-1,3-thiazol-2-amine
CID 12910389
N,4,5-trimethyl-1,3-thiazol-2-amine
CID 17763823
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-isopropylurea
CID 16654058
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-ethylthiourea
CID 13878932
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)acetamide
CID 24715187
N-(4,5-dimethylthiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5224505
4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 65169956
N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 80403172
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
CID 103515721
N,4-dimethyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 106444354
N-ethyl-4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 106444355

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide (CID 3797184) is N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide is Cc1nc(NC=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide?
The InChIKey is BSZHOUVFAYBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-5(2)10-6(8-4)7-3-9/h3H,1-2H3,(H,7,8,9).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide has a molecular weight of 156.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 3797184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).