[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C15H26N2OS — CID 79392778

IUPAC[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCCN(c1nc(C(C)C)c(CO)s1)C1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-4-17(12-8-6-5-7-9-12)15-16-14(11(2)3)13(10-18)19-15/h11-12,18H,4-10H2,1-3H3
InChIKeyKFVUWANYDBJEPO-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.92
Rot. Bonds5

About [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79392778) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79392778
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCCN(c1nc(C(C)C)c(CO)s1)C1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-4-17(12-8-6-5-7-9-12)15-16-14(11(2)3)13(10-18)19-15/h11-12,18H,4-10H2,1-3H3
InChIKeyKFVUWANYDBJEPO-UHFFFAOYSA-N
XLogP3.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79392778) is [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CCN(c1nc(C(C)C)c(CO)s1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is KFVUWANYDBJEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-17(12-8-6-5-7-9-12)15-16-14(11(2)3)13(10-18)19-15/h11-12,18H,4-10H2,1-3H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 282.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).