N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine

C12H15N3S — CID 70794757

IUPACN-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cnc2c(c1)CCC(NC1=NCCS1)C2
InChIInChI=1S/C12H15N3S/c1-2-9-3-4-10(8-11(9)13-5-1)15-12-14-6-7-16-12/h1-2,5,10H,3-4,6-8H2,(H,14,15)
InChIKeyBMXFYMLNWHVCTM-UHFFFAOYSA-N
MW233.34 g/mol
LogP1.63
Rot. Bonds1

About N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 70794757) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID70794757
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cnc2c(c1)CCC(NC1=NCCS1)C2
InChIInChI=1S/C12H15N3S/c1-2-9-3-4-10(8-11(9)13-5-1)15-12-14-6-7-16-12/h1-2,5,10H,3-4,6-8H2,(H,14,15)
InChIKeyBMXFYMLNWHVCTM-UHFFFAOYSA-N
XLogP1.63
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6,7,8-tetrahydroquinolin-7-ylamino)methanol
CID 14835920
2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide
CID 156678006
CID 169431797
CID 169431797
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
N-piperidin-4-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115016981
(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
CID 69281697
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridin-2-amine
CID 94392451
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 112568537
7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 14835988
7-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 138515872
tert-butyl N-[[4-[(5,6,7,8-tetrahydroquinolin-7-ylamino)methyl]phenyl]methyl]carbamate
CID 68900505

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 70794757) is N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine is c1cnc2c(c1)CCC(NC1=NCCS1)C2.
What is the InChIKey of N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BMXFYMLNWHVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-9-3-4-10(8-11(9)13-5-1)15-12-14-6-7-16-12/h1-2,5,10H,3-4,6-8H2,(H,14,15).
What are the key properties of N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 70794757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).