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

C14H13ClFN3OS — CID 89009802

IUPAC2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(C2CC2)c(C(=O)NCc2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H13ClFN3OS/c15-10-5-9(16)4-3-8(10)6-18-13(20)12-11(7-1-2-7)19-14(17)21-12/h3-5,7H,1-2,6H2,(H2,17,19)(H,18,20)
InChIKeyAQWFLRASWDKIOE-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.33
Rot. Bonds4

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

2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 89009802) has the molecular formula C14H13ClFN3OS and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID89009802
Molecular FormulaC14H13ClFN3OS
Molecular Weight325.80 g/mol
Exact Mass325.05
IUPAC Name2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(C2CC2)c(C(=O)NCc2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H13ClFN3OS/c15-10-5-9(16)4-3-8(10)6-18-13(20)12-11(7-1-2-7)19-14(17)21-12/h3-5,7H,1-2,6H2,(H2,17,19)(H,18,20)
InChIKeyAQWFLRASWDKIOE-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91971342
5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107530836
tert-butyl N-[5-[(2-chloro-4-fluorophenyl)methylcarbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 89009805
4-cyclopropyl-5-[(2,4,5-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399669
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 133268532
N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921177
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663821

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (CID 89009802) is 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is Nc1nc(C2CC2)c(C(=O)NCc2ccc(F)cc2Cl)s1.
What is the InChIKey of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is AQWFLRASWDKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3OS/c15-10-5-9(16)4-3-8(10)6-18-13(20)12-11(7-1-2-7)19-14(17)21-12/h3-5,7H,1-2,6H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89009802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).