N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H27N3S — CID 63940677

IUPACN-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CC2CC2)nc1CC
InChIInChI=1S/C15H27N3S/c1-4-9-16-10-14-13(5-2)17-15(19-14)18(6-3)11-12-7-8-12/h12,16H,4-11H2,1-3H3
InChIKeyOPLFVVYMZWSOTM-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.44
Rot. Bonds9

About N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 63940677) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID63940677
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CC2CC2)nc1CC
InChIInChI=1S/C15H27N3S/c1-4-9-16-10-14-13(5-2)17-15(19-14)18(6-3)11-12-7-8-12/h12,16H,4-11H2,1-3H3
InChIKeyOPLFVVYMZWSOTM-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768558
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166
N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107510450
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
4-tert-butyl-N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63938359
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62767058
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 63940677) is N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC)CC2CC2)nc1CC.
What is the InChIKey of N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is OPLFVVYMZWSOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-9-16-10-14-13(5-2)17-15(19-14)18(6-3)11-12-7-8-12/h12,16H,4-11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63940677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).