[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol

C11H18N2OS — CID 62752500

IUPAC[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)CN(c1ncc(CO)s1)C1CC1
InChIInChI=1S/C11H18N2OS/c1-8(2)6-13(9-3-4-9)11-12-5-10(7-14)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyQDROYSRFVMKFOO-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.26
Rot. Bonds5

About [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol

[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62752500) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62752500
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)CN(c1ncc(CO)s1)C1CC1
InChIInChI=1S/C11H18N2OS/c1-8(2)6-13(9-3-4-9)11-12-5-10(7-14)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyQDROYSRFVMKFOO-UHFFFAOYSA-N
XLogP2.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol (CID 62752500) is [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)CN(c1ncc(CO)s1)C1CC1.
What is the InChIKey of [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is QDROYSRFVMKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)6-13(9-3-4-9)11-12-5-10(7-14)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 226.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62752500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).