(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide

C15H18FN3OS — CID 119694895

IUPAC(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C15H18FN3OS/c1-9(2)6-12(17)14(20)19-15-18-13(8-21-15)10-4-3-5-11(16)7-10/h3-5,7-9,12H,6,17H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyWMTSDXIFSXBIJT-LBPRGKRZSA-N
MW307.39 g/mol
LogP3.26
Rot. Bonds5

About (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide (PubChem CID 119694895) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
PubChem CID119694895
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C15H18FN3OS/c1-9(2)6-12(17)14(20)19-15-18-13(8-21-15)10-4-3-5-11(16)7-10/h3-5,7-9,12H,6,17H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyWMTSDXIFSXBIJT-LBPRGKRZSA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 154668589
2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 155026660
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 8801390
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55431337
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide (CID 119694895) is (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The InChIKey is WMTSDXIFSXBIJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-9(2)6-12(17)14(20)19-15-18-13(8-21-15)10-4-3-5-11(16)7-10/h3-5,7-9,12H,6,17H2,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide has a molecular weight of 307.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide is sourced from PubChem (CID 119694895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).