N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2S — CID 63003200

IUPACN-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCNC1=NCCS1
InChIInChI=1S/C9H18N2S/c1-8(2)4-3-5-10-9-11-6-7-12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyTUPRENPANVZIPZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.12
Rot. Bonds4

About N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63003200) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63003200
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCNC1=NCCS1
InChIInChI=1S/C9H18N2S/c1-8(2)4-3-5-10-9-11-6-7-12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyTUPRENPANVZIPZ-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.12
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-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
2-Thiazoline, 2-((cyclohexylmethyl)amino)-
CID 3055296
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
(4,5-Dihydro-thiazol-2-yl)-isobutyl-amine
CID 3818443
N-Isobutyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383601
2-aminoethyl N,N'-dibutylcarbamimidothioate
CID 113653
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285500
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285501

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63003200) is N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CCCNC1=NCCS1.
What is the InChIKey of N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TUPRENPANVZIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8(2)4-3-5-10-9-11-6-7-12-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63003200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).