N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C15H16FN3OS — CID 95186028

IUPACN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H16FN3OS/c1-8-13(15(17-2)21-19-8)14(20)18-12-7-11(12)9-4-3-5-10(16)6-9/h3-6,11-12,17H,7H2,1-2H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyAXHGLIZNOZVXDW-VXGBXAGGSA-N
MW305.38 g/mol
LogP2.92
Rot. Bonds4

About N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 95186028) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID95186028
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H16FN3OS/c1-8-13(15(17-2)21-19-8)14(20)18-12-7-11(12)9-4-3-5-10(16)6-9/h3-6,11-12,17H,7H2,1-2H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyAXHGLIZNOZVXDW-VXGBXAGGSA-N
XLogP2.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 99784094
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
CID 134108990
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
N-[2-(3-fluorophenyl)cyclopropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71883968
N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 95194718
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 94647532

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 95186028) is N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is AXHGLIZNOZVXDW-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-8-13(15(17-2)21-19-8)14(20)18-12-7-11(12)9-4-3-5-10(16)6-9/h3-6,11-12,17H,7H2,1-2H3,(H,18,20)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 95186028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).