2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine

C12H12FN3O2S2 — CID 161105305

IUPAC2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine
SMILESNc1cc(F)c(S(=O)(=O)Cc2cscn2)nc1C1CC1
InChIInChI=1S/C12H12FN3O2S2/c13-9-3-10(14)11(7-1-2-7)16-12(9)20(17,18)5-8-4-19-6-15-8/h3-4,6-7H,1-2,5,14H2
InChIKeyUIYYTDNAPNFZPH-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.11
Rot. Bonds4

About 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine

2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine (PubChem CID 161105305) has the molecular formula C12H12FN3O2S2 and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine
PubChem CID161105305
Molecular FormulaC12H12FN3O2S2
Molecular Weight313.38 g/mol
Exact Mass313.04
IUPAC Name2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine
SMILESNc1cc(F)c(S(=O)(=O)Cc2cscn2)nc1C1CC1
InChIInChI=1S/C12H12FN3O2S2/c13-9-3-10(14)11(7-1-2-7)16-12(9)20(17,18)5-8-4-19-6-15-8/h3-4,6-7H,1-2,5,14H2
InChIKeyUIYYTDNAPNFZPH-UHFFFAOYSA-N
XLogP2.11
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
(3S)-N-[3,5-difluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-N-methylpyrrolidin-3-amine
CID 158315180
(2R)-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-N,2-dimethylpyrrolidin-3-amine
CID 158660013
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107343564
2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide
CID 63825433
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline
CID 171644772
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine (CID 161105305) is 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine is Nc1cc(F)c(S(=O)(=O)Cc2cscn2)nc1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine?
The InChIKey is UIYYTDNAPNFZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S2/c13-9-3-10(14)11(7-1-2-7)16-12(9)20(17,18)5-8-4-19-6-15-8/h3-4,6-7H,1-2,5,14H2.
What are the key properties of 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine?
2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine has a molecular weight of 313.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 161105305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).