2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole

C12H21NS — CID 58350063

IUPAC2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)CCCc1ncc(C(C)C)s1
InChIInChI=1S/C12H21NS/c1-9(2)6-5-7-12-13-8-11(14-12)10(3)4/h8-10H,5-7H2,1-4H3
InChIKeyMFXWIAKBHNJOHI-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole

2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 58350063) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
PubChem CID58350063
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)CCCc1ncc(C(C)C)s1
InChIInChI=1S/C12H21NS/c1-9(2)6-5-7-12-13-8-11(14-12)10(3)4/h8-10H,5-7H2,1-4H3
InChIKeyMFXWIAKBHNJOHI-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
CID 62653547
3-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 84779111
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 59481359
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 62653543
2-isocyano-5-propan-2-yl-1,3-thiazole
CID 177099753
1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 104517036
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 106815131
N-methyl-1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 115092055
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702
1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693439

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole (CID 58350063) is 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole is CC(C)CCCc1ncc(C(C)C)s1.
What is the InChIKey of 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is MFXWIAKBHNJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(2)6-5-7-12-13-8-11(14-12)10(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole?
2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 211.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58350063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).