1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

C17H25NOS — CID 115824167

IUPAC1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H25NOS/c1-11-10-20-16(18-11)5-15(19)9-17-6-12-2-13(7-17)4-14(3-12)8-17/h10,12-15,19H,2-9H2,1H3
InChIKeyPISWCVILKKASRU-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.96
Rot. Bonds4

About 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 115824167) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID115824167
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H25NOS/c1-11-10-20-16(18-11)5-15(19)9-17-6-12-2-13(7-17)4-14(3-12)8-17/h10,12-15,19H,2-9H2,1H3
InChIKeyPISWCVILKKASRU-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
CID 115826136
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 116660126
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol
CID 79995222
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105117704
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838
1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115825359
1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 107047760
2-cyclopentyl-3-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 112570284

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 115824167) is 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1csc(CC(O)CC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is PISWCVILKKASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-11-10-20-16(18-11)5-15(19)9-17-6-12-2-13(7-17)4-14(3-12)8-17/h10,12-15,19H,2-9H2,1H3.
What are the key properties of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 291.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 115824167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).