N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine

C9H12F2N2S — CID 164638139

IUPACN-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine
SMILESFC1(F)CC[C@H](CNc2nccs2)C1
InChIInChI=1S/C9H12F2N2S/c10-9(11)2-1-7(5-9)6-13-8-12-3-4-14-8/h3-4,7H,1-2,5-6H2,(H,12,13)/t7-/m0/s1
InChIKeyDTFYZUXAYLAKDE-ZETCQYMHSA-N
MW218.27 g/mol
LogP2.99
Rot. Bonds3

About N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine

N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine (PubChem CID 164638139) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine
PubChem CID164638139
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC NameN-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine
SMILESFC1(F)CC[C@H](CNc2nccs2)C1
InChIInChI=1S/C9H12F2N2S/c10-9(11)2-1-7(5-9)6-13-8-12-3-4-14-8/h3-4,7H,1-2,5-6H2,(H,12,13)/t7-/m0/s1
InChIKeyDTFYZUXAYLAKDE-ZETCQYMHSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((R)-1-Cyclohexyl-ethyl)-3-thiazol-2-yl-thiourea
CID 3002367
1-((S)-1-Cyclohexyl-ethyl)-3-thiazol-2-yl-thiourea
CID 3002362
Cyclohexyl-thiazol-2-yl-amine
CID 842041
1-(2-Cyclohexylethyl)-3-thiazol-2-yl-thiourea
CID 3001256
1-((R)-2-Cyclohexyl-propyl)-3-thiazol-2-yl-thiourea
CID 3008853
1-((S)-2-Cyclohexyl-propyl)-3-thiazol-2-yl-thiourea
CID 3008854
[1-(1,3-Thiazol-2-yl)piperidin-3-yl]methanamine
CID 61797814
3-(2,2-difluorocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
CID 90814238
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
CID 174942869
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 60856807
N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 63226788
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 78978297

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine (CID 164638139) is N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine is FC1(F)CC[C@H](CNc2nccs2)C1.
What is the InChIKey of N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is DTFYZUXAYLAKDE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12F2N2S/c10-9(11)2-1-7(5-9)6-13-8-12-3-4-14-8/h3-4,7H,1-2,5-6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine?
N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 218.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-3,3-difluorocyclopentyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164638139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).