[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol

C16H22N2OS — CID 62780694

IUPAC[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)c2ccc(CC)cc2)sc1CO
InChIInChI=1S/C16H22N2OS/c1-4-6-14-15(11-19)20-16(17-14)18(3)13-9-7-12(5-2)8-10-13/h7-10,19H,4-6,11H2,1-3H3
InChIKeyCZDNSKIXDOSKOW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.92
Rot. Bonds6

About [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol

[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780694) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62780694
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)c2ccc(CC)cc2)sc1CO
InChIInChI=1S/C16H22N2OS/c1-4-6-14-15(11-19)20-16(17-14)18(3)13-9-7-12(5-2)8-10-13/h7-10,19H,4-6,11H2,1-3H3
InChIKeyCZDNSKIXDOSKOW-UHFFFAOYSA-N
XLogP3.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58496121
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CID 58496151
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CID 141415819
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CID 55111938
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CID 55112272
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CID 55112421
CID 55112421

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol (CID 62780694) is [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(C)c2ccc(CC)cc2)sc1CO.
What is the InChIKey of [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is CZDNSKIXDOSKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-6-14-15(11-19)20-16(17-14)18(3)13-9-7-12(5-2)8-10-13/h7-10,19H,4-6,11H2,1-3H3.
What are the key properties of [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 290.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).