N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C12H13N3S — CID 15017642

IUPACN-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESc1ccc(Nc2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C12H13N3S/c1-2-4-9(5-3-1)14-12-15-10-6-7-13-8-11(10)16-12/h1-5,13H,6-8H2,(H,14,15)
InChIKeyIPDMSWWPZIYBFY-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.53
Rot. Bonds2

About N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 15017642) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID15017642
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESc1ccc(Nc2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C12H13N3S/c1-2-4-9(5-3-1)14-12-15-10-6-7-13-8-11(10)16-12/h1-5,13H,6-8H2,(H,14,15)
InChIKeyIPDMSWWPZIYBFY-UHFFFAOYSA-N
XLogP2.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 15017642) is N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is c1ccc(Nc2nc3c(s2)CNCC3)cc1.
What is the InChIKey of N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is IPDMSWWPZIYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-4-9(5-3-1)14-12-15-10-6-7-13-8-11(10)16-12/h1-5,13H,6-8H2,(H,14,15).
What are the key properties of N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 15017642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).