N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C16H31N3S — CID 62634562

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCN(C)C(C)C
InChIInChI=1S/C16H31N3S/c1-11(2)19(8)10-9-17-12(3)14-13(4)18-15(20-14)16(5,6)7/h11-12,17H,9-10H2,1-8H3
InChIKeyWBFQYELAZAMIES-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62634562) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62634562
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCN(C)C(C)C
InChIInChI=1S/C16H31N3S/c1-11(2)19(8)10-9-17-12(3)14-13(4)18-15(20-14)16(5,6)7/h11-12,17H,9-10H2,1-8H3
InChIKeyWBFQYELAZAMIES-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62634562) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is Cc1nc(C(C)(C)C)sc1C(C)NCCN(C)C(C)C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WBFQYELAZAMIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-11(2)19(8)10-9-17-12(3)14-13(4)18-15(20-14)16(5,6)7/h11-12,17H,9-10H2,1-8H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 297.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62634562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).