N-butyl-4,5-dihydro-1,3-thiazol-2-amine

C7H14N2S — CID 3847167

IUPACN-butyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCCS1
InChIInChI=1S/C7H14N2S/c1-2-3-4-8-7-9-5-6-10-7/h2-6H2,1H3,(H,8,9)
InChIKeyLPCCCOIMYNLNEX-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.48
Rot. Bonds3

About N-butyl-4,5-dihydro-1,3-thiazol-2-amine

N-butyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3847167) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-butyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3847167
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-butyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCCS1
InChIInChI=1S/C7H14N2S/c1-2-3-4-8-7-9-5-6-10-7/h2-6H2,1H3,(H,8,9)
InChIKeyLPCCCOIMYNLNEX-UHFFFAOYSA-N
XLogP1.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 4236807
N-methyl-4,5-dihydro-1,3-thiazol-2-amine hydrochloride
CID 136109301
N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3707289
1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide
CID 201153
N-Ethyl-1,3-thiazolidin-2-imine
CID 202955
2-(Ethylthio)-4,5-dihydro-1H-imidazole
CID 81756
N,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135403375
1,3-Propanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216950
2-Thiazolamine, 4,5-dihydro-N-methyl-, monohydrobromide
CID 135487870
2-Ethylthio-2-imidazoline hydroiodide
CID 24201677
3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine
CID 651302
N-Ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 253132

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-4,5-dihydro-1,3-thiazol-2-amine (CID 3847167) is N-butyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCNC1=NCCS1.
What is the InChIKey of N-butyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LPCCCOIMYNLNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-3-4-8-7-9-5-6-10-7/h2-6H2,1H3,(H,8,9).
What are the key properties of N-butyl-4,5-dihydro-1,3-thiazol-2-amine?
N-butyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 158.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3847167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).