N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine

C13H27N3S — CID 114168305

IUPACN',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCC(CC)C1CN=C(NCCCN(C)C)S1
InChIInChI=1S/C13H27N3S/c1-5-11(6-2)12-10-15-13(17-12)14-8-7-9-16(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyIBDLJOUZQKXKTR-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.44
Rot. Bonds7

About N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine

N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 114168305) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID114168305
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCC(CC)C1CN=C(NCCCN(C)C)S1
InChIInChI=1S/C13H27N3S/c1-5-11(6-2)12-10-15-13(17-12)14-8-7-9-16(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyIBDLJOUZQKXKTR-UHFFFAOYSA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.44
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'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 114168349
N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285221
N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106285105
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106406536
N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285186
N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285326
N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285314
N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine
CID 114134847
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 113492449
N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284776
5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285093

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine (CID 114168305) is N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine is CCC(CC)C1CN=C(NCCCN(C)C)S1.
What is the InChIKey of N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is IBDLJOUZQKXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-5-11(6-2)12-10-15-13(17-12)14-8-7-9-16(3)4/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 257.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 114168305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).