4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine

C16H12FN5S2 — CID 133372541

IUPAC4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCc3nc(-c4cccs4)n[nH]3)n2)cc1
InChIInChI=1S/C16H12FN5S2/c17-11-5-3-10(4-6-11)12-9-24-16(19-12)18-8-14-20-15(22-21-14)13-2-1-7-23-13/h1-7,9H,8H2,(H,18,19)(H,20,21,22)
InChIKeyGMPWHPNISHDJPL-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.41
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 133372541) has the molecular formula C16H12FN5S2 and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
PubChem CID133372541
Molecular FormulaC16H12FN5S2
Molecular Weight357.44 g/mol
Exact Mass357.05
IUPAC Name4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCc3nc(-c4cccs4)n[nH]3)n2)cc1
InChIInChI=1S/C16H12FN5S2/c17-11-5-3-10(4-6-11)12-9-24-16(19-12)18-8-14-20-15(22-21-14)13-2-1-7-23-13/h1-7,9H,8H2,(H,18,19)(H,20,21,22)
InChIKeyGMPWHPNISHDJPL-UHFFFAOYSA-N
XLogP4.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 133370918
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
7-ethyl-2-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133293678
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 133293696
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133293639
2-chloro-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]benzonitrile
CID 133355288
N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
CID 133355290
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine (CID 133372541) is 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCc3nc(-c4cccs4)n[nH]3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GMPWHPNISHDJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5S2/c17-11-5-3-10(4-6-11)12-9-24-16(19-12)18-8-14-20-15(22-21-14)13-2-1-7-23-13/h1-7,9H,8H2,(H,18,19)(H,20,21,22).
What are the key properties of 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 357.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133372541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).