(Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol

C14H19N3OS — CID 70384460

IUPAC(Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol
SMILESCCC(O)(Cn1cncn1)/C(C)=C(/C)c1cccs1
InChIInChI=1S/C14H19N3OS/c1-4-14(18,8-17-10-15-9-16-17)12(3)11(2)13-6-5-7-19-13/h5-7,9-10,18H,4,8H2,1-3H3/b12-11-
InChIKeyYVIHSFKHSMKBQI-QXMHVHEDSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds5

About (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol

(Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol (PubChem CID 70384460) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol.

Molecular Properties

Compound Name(Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol
PubChem CID70384460
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol
SMILESCCC(O)(Cn1cncn1)/C(C)=C(/C)c1cccs1
InChIInChI=1S/C14H19N3OS/c1-4-14(18,8-17-10-15-9-16-17)12(3)11(2)13-6-5-7-19-13/h5-7,9-10,18H,4,8H2,1-3H3/b12-11-
InChIKeyYVIHSFKHSMKBQI-QXMHVHEDSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol with MolForge

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Related Compounds

1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 12960128
4,4-dimethyl-1-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)pent-1-yn-3-ol
CID 14328504
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 40634096
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 71322817
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903
1-(2-chloro-4-thiophen-2-ylphenyl)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 90242659
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 94635884
(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-(2,4-difluorophenyl)-3-(2-thiophen-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 123698310
2-methylsulfanyl-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 163456117

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol?
The IUPAC name of (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol (CID 70384460) is (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol.
What is the SMILES notation for (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol?
The canonical SMILES for (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol is CCC(O)(Cn1cncn1)/C(C)=C(/C)c1cccs1.
What is the InChIKey of (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol?
The InChIKey is YVIHSFKHSMKBQI-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-14(18,8-17-10-15-9-16-17)12(3)11(2)13-6-5-7-19-13/h5-7,9-10,18H,4,8H2,1-3H3/b12-11-.
What are the key properties of (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol?
(Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol has a molecular weight of 277.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-thiophen-2-yl-3-(1,2,4-triazol-1-ylmethyl)hex-4-en-3-ol is sourced from PubChem (CID 70384460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).