N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

C14H29N3OS — CID 106285221

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCC(CC)C1CN=C(NCCN(C)CCOC)S1
InChIInChI=1S/C14H29N3OS/c1-5-12(6-2)13-11-16-14(19-13)15-7-8-17(3)9-10-18-4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyLEMVCUOTMJCRBC-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.06
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 106285221) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID106285221
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCC(CC)C1CN=C(NCCN(C)CCOC)S1
InChIInChI=1S/C14H29N3OS/c1-5-12(6-2)13-11-16-14(19-13)15-7-8-17(3)9-10-18-4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyLEMVCUOTMJCRBC-UHFFFAOYSA-N
XLogP2.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198
N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 114168349
N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 114168305
N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285186
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844860
N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285741
N-[(4-methylphenyl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284896
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285264
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285314

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 106285221) is N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is CCC(CC)C1CN=C(NCCN(C)CCOC)S1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is LEMVCUOTMJCRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-5-12(6-2)13-11-16-14(19-13)15-7-8-17(3)9-10-18-4/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 287.47 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106285221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).