ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole

C15H22N2S — CID 178171856

IUPACethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
SMILESCC.CCCc1nc(-c2cccnc2)sc1CC
InChIInChI=1S/C13H16N2S.C2H6/c1-3-6-11-12(4-2)16-13(15-11)10-7-5-8-14-9-10;1-2/h5,7-9H,3-4,6H2,1-2H3;1-2H3
InChIKeyNAYACAOWDPEKTH-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.75
Rot. Bonds4

About ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole

ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 178171856) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID178171856
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Nameethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
SMILESCC.CCCc1nc(-c2cccnc2)sc1CC
InChIInChI=1S/C13H16N2S.C2H6/c1-3-6-11-12(4-2)16-13(15-11)10-7-5-8-14-9-10;1-2/h5,7-9H,3-4,6H2,1-2H3;1-2H3
InChIKeyNAYACAOWDPEKTH-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
CID 28942305
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64717713
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
2-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
CID 53494006

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole (CID 178171856) is ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole is CC.CCCc1nc(-c2cccnc2)sc1CC.
What is the InChIKey of ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is NAYACAOWDPEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.C2H6/c1-3-6-11-12(4-2)16-13(15-11)10-7-5-8-14-9-10;1-2/h5,7-9H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole?
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 262.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 178171856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).