2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol

C14H25NOS — CID 82434742

IUPAC2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCCC(CC)c1nc(C(C)C)c(C(C)(C)O)s1
InChIInChI=1S/C14H25NOS/c1-7-10(8-2)13-15-11(9(3)4)12(17-13)14(5,6)16/h9-10,16H,7-8H2,1-6H3
InChIKeyIHPKRTBQBLZDFC-UHFFFAOYSA-N
MW255.43 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol

2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 82434742) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID82434742
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCCC(CC)c1nc(C(C)C)c(C(C)(C)O)s1
InChIInChI=1S/C14H25NOS/c1-7-10(8-2)13-15-11(9(3)4)12(17-13)14(5,6)16/h9-10,16H,7-8H2,1-6H3
InChIKeyIHPKRTBQBLZDFC-UHFFFAOYSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82434753
(E)-3-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82434751
2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82432448
2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82439989
2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435103
N-[(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82434732
2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82433890
5-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82434754
1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
CID 82439111
5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole
CID 177141160
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82433495

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol (CID 82434742) is 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol is CCC(CC)c1nc(C(C)C)c(C(C)(C)O)s1.
What is the InChIKey of 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is IHPKRTBQBLZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-7-10(8-2)13-15-11(9(3)4)12(17-13)14(5,6)16/h9-10,16H,7-8H2,1-6H3.
What are the key properties of 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 255.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 82434742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).