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

C10H21NS — CID 142258355

IUPAC2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane
SMILESCC1NC(C(C)C)=CS1.CCC
InChIInChI=1S/C7H13NS.C3H8/c1-5(2)7-4-9-6(3)8-7;1-3-2/h4-6,8H,1-3H3;3H2,1-2H3
InChIKeyPPZCTHIYWUEPRS-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.58
Rot. Bonds1

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

2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane (PubChem CID 142258355) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane
PubChem CID142258355
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane
SMILESCC1NC(C(C)C)=CS1.CCC
InChIInChI=1S/C7H13NS.C3H8/c1-5(2)7-4-9-6(3)8-7;1-3-2/h4-6,8H,1-3H3;3H2,1-2H3
InChIKeyPPZCTHIYWUEPRS-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

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
4-Methyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 53770458
2,5-Di(propan-2-yl)-2,3-dihydro-1,3-thiazole
CID 58092319
N-methyl-1-(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
CID 68029738
2-[2-(2-aminoethyl)-2-methyl-3H-1,3-thiazol-4-yl]ethanamine
CID 68119339
4-Propan-2-yl-2,3-dihydro-1,3-thiazole
CID 69785917
2-Ethyl-4-methyl-2,3-dihydro-1,3-thiazole
CID 85675405
4-Tert-butyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 89681828
N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine
CID 118617263
(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine
CID 118617272
2-Methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 121299725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane?
The IUPAC name of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane (CID 142258355) is 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane.
What is the SMILES notation for 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane?
The canonical SMILES for 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane is CC1NC(C(C)C)=CS1.CCC.
What is the InChIKey of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane?
The InChIKey is PPZCTHIYWUEPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.C3H8/c1-5(2)7-4-9-6(3)8-7;1-3-2/h4-6,8H,1-3H3;3H2,1-2H3.
What are the key properties of 2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane?
2-methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole;propane has a molecular weight of 187.35 g/mol, XLogP of 3.58, 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;propane is sourced from PubChem (CID 142258355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).