N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C12H25N3S — CID 29068068

IUPACN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1=NCCCS1)C(C)C
InChIInChI=1S/C12H25N3S/c1-10(2)15(11(3)4)8-7-14-12-13-6-5-9-16-12/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyQTTWDYCKOMHVFA-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.19
Rot. Bonds5

About N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 29068068) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID29068068
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1=NCCCS1)C(C)C
InChIInChI=1S/C12H25N3S/c1-10(2)15(11(3)4)8-7-14-12-13-6-5-9-16-12/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyQTTWDYCKOMHVFA-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-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-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 29068068) is N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1=NCCCS1)C(C)C.
What is the InChIKey of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is QTTWDYCKOMHVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-10(2)15(11(3)4)8-7-14-12-13-6-5-9-16-12/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 243.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 29068068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).