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

C15H14FN5OS — CID 134036011

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1sc(NC(=O)CCn2cncn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H14FN5OS/c1-10-14(11-2-4-12(16)5-3-11)20-15(23-10)19-13(22)6-7-21-9-17-8-18-21/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)
InChIKeyCNAVNWNOYYQGPH-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.88
Rot. Bonds5

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

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 134036011) has the molecular formula C15H14FN5OS and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID134036011
Molecular FormulaC15H14FN5OS
Molecular Weight331.38 g/mol
Exact Mass331.09
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1sc(NC(=O)CCn2cncn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H14FN5OS/c1-10-14(11-2-4-12(16)5-3-11)20-15(23-10)19-13(22)6-7-21-9-17-8-18-21/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)
InChIKeyCNAVNWNOYYQGPH-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 51092008
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
4-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19219149
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 134036011) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1sc(NC(=O)CCn2cncn2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CNAVNWNOYYQGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS/c1-10-14(11-2-4-12(16)5-3-11)20-15(23-10)19-13(22)6-7-21-9-17-8-18-21/h2-5,8-9H,6-7H2,1H3,(H,19,20,22).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 134036011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).