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

C9H13FN2OS — CID 130165028

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)F)sc1C
InChIInChI=1S/C9H13FN2OS/c1-5-6(2)14-8(11-5)12-7(13)9(3,4)10/h1-4H3,(H,11,12,13)
InChIKeyIPJJUMMEBWVBDH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.45
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130165028) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
PubChem CID130165028
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)F)sc1C
InChIInChI=1S/C9H13FN2OS/c1-5-6(2)14-8(11-5)12-7(13)9(3,4)10/h1-4H3,(H,11,12,13)
InChIKeyIPJJUMMEBWVBDH-UHFFFAOYSA-N
XLogP2.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 903546
2-chloro-N-(dimethyl-1,3-thiazol-2-yl)acetamide
CID 842066
[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
CID 4832471
N-(4,5-dimethyl(1,3-thiazol-2-yl))-3-methylbut-2-enamide
CID 1637436
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 17191161
N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710711
N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710713
N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 21801148
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide
CID 24832250
2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 59634285
tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
CID 151355104
N-(4-fluoro-5-methyl-1,3-thiazol-2-yl)acetamide
CID 154685661

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide (CID 130165028) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide is Cc1nc(NC(=O)C(C)(C)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is IPJJUMMEBWVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-5-6(2)14-8(11-5)12-7(13)9(3,4)10/h1-4H3,(H,11,12,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 2.45, 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)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).