[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

C15H21N3OS — CID 62778496

IUPAC[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)Cc2ccncc2)sc1CO
InChIInChI=1S/C15H21N3OS/c1-3-5-13-14(11-19)20-15(17-13)18(4-2)10-12-6-8-16-9-7-12/h6-9,19H,3-5,10-11H2,1-2H3
InChIKeyIJODYVNRHAQRRH-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds7

About [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62778496) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62778496
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)Cc2ccncc2)sc1CO
InChIInChI=1S/C15H21N3OS/c1-3-5-13-14(11-19)20-15(17-13)18(4-2)10-12-6-8-16-9-7-12/h6-9,19H,3-5,10-11H2,1-2H3
InChIKeyIJODYVNRHAQRRH-UHFFFAOYSA-N
XLogP3.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779815
5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766662
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778308
[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780694
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62750354
[4-(methoxymethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510918
2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977281
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62753060

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 62778496) is [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC)Cc2ccncc2)sc1CO.
What is the InChIKey of [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is IJODYVNRHAQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-5-13-14(11-19)20-15(17-13)18(4-2)10-12-6-8-16-9-7-12/h6-9,19H,3-5,10-11H2,1-2H3.
What are the key properties of [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 291.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).