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

C12H22N2OS — CID 62754215

IUPAC[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCCCN(c1ncc(CO)s1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-4-5-6-7-14(10(2)3)12-13-8-11(9-15)16-12/h8,10,15H,4-7,9H2,1-3H3
InChIKeyBRUKNEXNVQLRBO-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.04
Rot. Bonds7

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

[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62754215) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62754215
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCCCN(c1ncc(CO)s1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-4-5-6-7-14(10(2)3)12-13-8-11(9-15)16-12/h8,10,15H,4-7,9H2,1-3H3
InChIKeyBRUKNEXNVQLRBO-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.04
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 [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol (CID 62754215) is [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol is CCCCCN(c1ncc(CO)s1)C(C)C.
What is the InChIKey of [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is BRUKNEXNVQLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-5-6-7-14(10(2)3)12-13-8-11(9-15)16-12/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 242.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62754215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).