N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H26N2S — CID 114108938

IUPACN-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CNC2=NCC(CC(C)C)S2)CCC1
InChIInChI=1S/C14H26N2S/c1-4-14(6-5-7-14)10-16-13-15-9-12(17-13)8-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyWRZOLQNWLLQJKN-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.67
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114108938) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114108938
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CNC2=NCC(CC(C)C)S2)CCC1
InChIInChI=1S/C14H26N2S/c1-4-14(6-5-7-14)10-16-13-15-9-12(17-13)8-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyWRZOLQNWLLQJKN-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
N-(2-ethylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107817070
N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 162494619
N-(5-methylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3611366
N-[(5R)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7062704
N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7062705
N-[(5R)-5-methylheptyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 7062706
N-[(5S)-5-methylheptyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 7062707
N-(cyclopentylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43371239
N-(cyclobutylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440145
N-(cyclopentylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440164
N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62198781

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 114108938) is N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1(CNC2=NCC(CC(C)C)S2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WRZOLQNWLLQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-14(6-5-7-14)10-16-13-15-9-12(17-13)8-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114108938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).