N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C7H10FN3OS — CID 130736154

IUPACN-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)NCCF)s1
InChIInChI=1S/C7H10FN3OS/c1-9-7-11-4-5(13-7)6(12)10-3-2-8/h4H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyIFSCTJYIFPUJLU-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.88
Rot. Bonds4

About N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 130736154) has the molecular formula C7H10FN3OS and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID130736154
Molecular FormulaC7H10FN3OS
Molecular Weight203.24 g/mol
Exact Mass203.05
IUPAC NameN-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)NCCF)s1
InChIInChI=1S/C7H10FN3OS/c1-9-7-11-4-5(13-7)6(12)10-3-2-8/h4H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyIFSCTJYIFPUJLU-UHFFFAOYSA-N
XLogP0.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1,3-thiazole-5-carboxamide
CID 16227213
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
2-amino-N-methyl-1,3-thiazole-5-carboxamide
CID 59600355
2-(Ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
2-hydrazinyl-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 165663918
2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 75390612
N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75496100
2-(ethylamino)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 84590724
[2-(Ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
(2-amino-1,3-thiazol-5-yl)-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 125525751

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 130736154) is N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1ncc(C(=O)NCCF)s1.
What is the InChIKey of N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IFSCTJYIFPUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3OS/c1-9-7-11-4-5(13-7)6(12)10-3-2-8/h4H,2-3H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130736154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).