2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol

C11H20N2OS — CID 65169596

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol
SMILESCc1nc(NC(CO)CC(C)C)sc1C
InChIInChI=1S/C11H20N2OS/c1-7(2)5-10(6-14)13-11-12-8(3)9(4)15-11/h7,10,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyOSFSUSGYUKBKDA-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.58
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol (PubChem CID 65169596) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol
PubChem CID65169596
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol
SMILESCc1nc(NC(CO)CC(C)C)sc1C
InChIInChI=1S/C11H20N2OS/c1-7(2)5-10(6-14)13-11-12-8(3)9(4)15-11/h7,10,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyOSFSUSGYUKBKDA-UHFFFAOYSA-N
XLogP2.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol (CID 65169596) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol is Cc1nc(NC(CO)CC(C)C)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol?
The InChIKey is OSFSUSGYUKBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-7(2)5-10(6-14)13-11-12-8(3)9(4)15-11/h7,10,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 65169596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).