2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C13H27N3S — CID 54968181

IUPAC2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCC1CSC(NC(CC(C)C)CN(C)C)=N1
InChIInChI=1S/C13H27N3S/c1-6-11-9-17-13(14-11)15-12(7-10(2)3)8-16(4)5/h10-12H,6-9H2,1-5H3,(H,14,15)
InChIKeyPDTYFUISSKAAFU-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.43
Rot. Bonds6

About 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 54968181) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID54968181
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCC1CSC(NC(CC(C)C)CN(C)C)=N1
InChIInChI=1S/C13H27N3S/c1-6-11-9-17-13(14-11)15-12(7-10(2)3)8-16(4)5/h10-12H,6-9H2,1-5H3,(H,14,15)
InChIKeyPDTYFUISSKAAFU-UHFFFAOYSA-N
XLogP2.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

N-(cyclobutylmethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136136086
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
4-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114131552
5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168440
4-(2-methylpropyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
CID 136952806
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylbutan-1-amine
CID 20213259
N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 57162043
2-(4-methylpentylsulfanyl)-4,5-dihydro-1H-imidazole
CID 58703354
N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine
CID 136628223
(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 146787000
N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148923
4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43148971

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 54968181) is 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CCC1CSC(NC(CC(C)C)CN(C)C)=N1.
What is the InChIKey of 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is PDTYFUISSKAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-6-11-9-17-13(14-11)15-12(7-10(2)3)8-16(4)5/h10-12H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 257.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 54968181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).