[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol

C16H30N2OS — CID 62780003

IUPAC[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCCCN(c1nc(C(C)(C)C)c(CO)s1)C(C)C
InChIInChI=1S/C16H30N2OS/c1-7-8-9-10-18(12(2)3)15-17-14(16(4,5)6)13(11-19)20-15/h12,19H,7-11H2,1-6H3
InChIKeyJAWOBMKCCRZKRX-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.34
Rot. Bonds7

About [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62780003) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62780003
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCCCN(c1nc(C(C)(C)C)c(CO)s1)C(C)C
InChIInChI=1S/C16H30N2OS/c1-7-8-9-10-18(12(2)3)15-17-14(16(4,5)6)13(11-19)20-15/h12,19H,7-11H2,1-6H3
InChIKeyJAWOBMKCCRZKRX-UHFFFAOYSA-N
XLogP4.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol (CID 62780003) is [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol is CCCCCN(c1nc(C(C)(C)C)c(CO)s1)C(C)C.
What is the InChIKey of [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is JAWOBMKCCRZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-7-8-9-10-18(12(2)3)15-17-14(16(4,5)6)13(11-19)20-15/h12,19H,7-11H2,1-6H3.
What are the key properties of [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 298.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).