4-methyl-2-pentan-2-yl-1,3-thiazole

C9H15NS — CID 138644100

IUPAC4-methyl-2-pentan-2-yl-1,3-thiazole
SMILESCCCC(C)c1nc(C)cs1
InChIInChI=1S/C9H15NS/c1-4-5-7(2)9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3
InChIKeyOGLQBNPNFHZVCX-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.36
Rot. Bonds3

About 4-methyl-2-pentan-2-yl-1,3-thiazole

4-methyl-2-pentan-2-yl-1,3-thiazole (PubChem CID 138644100) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-methyl-2-pentan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pentan-2-yl-1,3-thiazole
PubChem CID138644100
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-methyl-2-pentan-2-yl-1,3-thiazole
SMILESCCCC(C)c1nc(C)cs1
InChIInChI=1S/C9H15NS/c1-4-5-7(2)9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3
InChIKeyOGLQBNPNFHZVCX-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
CID 163565018
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
CID 115724057
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentan-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pentan-2-yl-1,3-thiazole (CID 138644100) is 4-methyl-2-pentan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pentan-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pentan-2-yl-1,3-thiazole is CCCC(C)c1nc(C)cs1.
What is the InChIKey of 4-methyl-2-pentan-2-yl-1,3-thiazole?
The InChIKey is OGLQBNPNFHZVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-5-7(2)9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-pentan-2-yl-1,3-thiazole?
4-methyl-2-pentan-2-yl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentan-2-yl-1,3-thiazole is sourced from PubChem (CID 138644100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).