2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane

C14H31NS — CID 145443768

IUPAC2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane
SMILESCC.CC.CCCCCC1=C(C)SC(C)N1
InChIInChI=1S/C10H19NS.2C2H6/c1-4-5-6-7-10-8(2)12-9(3)11-10;2*1-2/h9,11H,4-7H2,1-3H3;2*1-2H3
InChIKeyJJFDZZWESJMASZ-UHFFFAOYSA-N
MW245.48 g/mol
LogP5.53
Rot. Bonds4

About 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane

2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane (PubChem CID 145443768) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane.

Molecular Properties

Compound Name2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane
PubChem CID145443768
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane
SMILESCC.CC.CCCCCC1=C(C)SC(C)N1
InChIInChI=1S/C10H19NS.2C2H6/c1-4-5-6-7-10-8(2)12-9(3)11-10;2*1-2/h9,11H,4-7H2,1-3H3;2*1-2H3
InChIKeyJJFDZZWESJMASZ-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-Dimethylpent-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058790
3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine
CID 12998652
6-ethyl-5-propyl-3,4-dihydro-2H-1,4-thiazine
CID 85653077
2-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazole
CID 89881331
4-Butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 130420194
5-Ethyl-2-methyl-4-propyl-2,3-dihydro-1,3-thiazole
CID 132196857
Ethane;2-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole
CID 142366117
4-Ethyl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 143642404
2-(aminomethylsulfanyl)-1-N-methylcyclohexene-1,4-diamine
CID 143653340
(4S)-2-(aminomethylsulfanyl)-4-N-propylcyclohexene-1,4-diamine
CID 143653342
(4S)-2-(aminomethylsulfanyl)-1-N-methyl-4-N-propylcyclohexene-1,4-diamine
CID 143653343
(4S)-2-(aminomethylsulfanyl)-1-N-methylcyclohexene-1,4-diamine
CID 143653348

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane?
The IUPAC name of 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane (CID 145443768) is 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane.
What is the SMILES notation for 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane?
The canonical SMILES for 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane is CC.CC.CCCCCC1=C(C)SC(C)N1.
What is the InChIKey of 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane?
The InChIKey is JJFDZZWESJMASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.2C2H6/c1-4-5-6-7-10-8(2)12-9(3)11-10;2*1-2/h9,11H,4-7H2,1-3H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane?
2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane has a molecular weight of 245.48 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane is sourced from PubChem (CID 145443768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).