2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole

C7H13NS — CID 121299725

IUPAC2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1NC(C(C)C)=CS1
InChIInChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h4-6,8H,1-3H3
InChIKeyKBGJIHVSXGLLAH-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.17
Rot. Bonds1

About 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole

2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 121299725) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID121299725
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1NC(C(C)C)=CS1
InChIInChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h4-6,8H,1-3H3
InChIKeyKBGJIHVSXGLLAH-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(1,1-difluoroethyl)-2-methyl-2,3-dihydro-1,3-thiazole
CID 118438714
N-(1-fluoro-2-methylsulfanylethyl)-3-methylbut-1-en-2-amine
CID 166782850
3-Isopropyl-5,6-dihydro-4 H-1,4-thiazin
CID 55286253
2,4-Dimethyl-2,3-dihydro-1,3-thiazole
CID 22103430
4-Methyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 53770458
6-Methyl-5-methylidene-1,4-thiazepane
CID 53799095
4-Propan-2-yl-2,3-dihydro-1,3-thiazole
CID 69785917
2-Ethyl-4-methyl-2,3-dihydro-1,3-thiazole
CID 85675405
2-(3-chloro-2-methyl-2H-1,3-thiazol-4-yl)-N-methylethanamine
CID 88089529
4-Tert-butyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 89681828
(2-Propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
CID 89728747
N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine
CID 118617263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 121299725) is 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole is CC1NC(C(C)C)=CS1.
What is the InChIKey of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is KBGJIHVSXGLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h4-6,8H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 121299725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).