N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C13H22N2S — CID 62943486

IUPACN,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2c(s1)CC(C(C)C)CC2
InChIInChI=1S/C13H22N2S/c1-8(2)10-5-6-11-12(7-10)16-13(15-11)14-9(3)4/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyXTHCDCCFHCRQIU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.72
Rot. Bonds3

About N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 62943486) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID62943486
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2c(s1)CC(C(C)C)CC2
InChIInChI=1S/C13H22N2S/c1-8(2)10-5-6-11-12(7-10)16-13(15-11)14-9(3)4/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyXTHCDCCFHCRQIU-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62942724
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 55129618
2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 62704098
2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62703728
N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290
N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide
CID 167875217
N'-[1-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]ethyl]-N-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide
CID 166379646
tert-butyl 2-(propan-2-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62956988
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62941430
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methanesulfinamide
CID 130834312

Frequently Asked Questions

What is the IUPAC name of N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 62943486) is N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC(C)Nc1nc2c(s1)CC(C(C)C)CC2.
What is the InChIKey of N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is XTHCDCCFHCRQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-8(2)10-5-6-11-12(7-10)16-13(15-11)14-9(3)4/h8-10H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62943486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).