N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine

C11H18N2S — CID 115691858

IUPACN-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCCC2CC2)sc1C
InChIInChI=1S/C11H18N2S/c1-8-9(2)14-11(13-8)12-7-3-4-10-5-6-10/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyOJQIYWDVDJBBON-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.36
Rot. Bonds5

About N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 115691858) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID115691858
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCCC2CC2)sc1C
InChIInChI=1S/C11H18N2S/c1-8-9(2)14-11(13-8)12-7-3-4-10-5-6-10/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyOJQIYWDVDJBBON-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.36
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-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 82513380
4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
CID 65168897
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60642086
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
CID 115691855
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65169595
5-acetyl-2-(3-cyclopropylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106698141

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 115691858) is N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCCCC2CC2)sc1C.
What is the InChIKey of N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OJQIYWDVDJBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-9(2)14-11(13-8)12-7-3-4-10-5-6-10/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115691858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).