ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C14H19N3S — CID 162744065

IUPACethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC.Nc1nc2c(s1)CCC(c1ccccn1)C2
InChIInChI=1S/C12H13N3S.C2H6/c13-12-15-10-7-8(4-5-11(10)16-12)9-3-1-2-6-14-9;1-2/h1-3,6,8H,4-5,7H2,(H2,13,15);1-2H3
InChIKeyCRNAAGCCEWRRDE-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.42
Rot. Bonds1

About ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 162744065) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID162744065
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Nameethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC.Nc1nc2c(s1)CCC(c1ccccn1)C2
InChIInChI=1S/C12H13N3S.C2H6/c13-12-15-10-7-8(4-5-11(10)16-12)9-3-1-2-6-14-9;1-2/h1-3,6,8H,4-5,7H2,(H2,13,15);1-2H3
InChIKeyCRNAAGCCEWRRDE-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 162744065) is ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC.Nc1nc2c(s1)CCC(c1ccccn1)C2.
What is the InChIKey of ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is CRNAAGCCEWRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.C2H6/c13-12-15-10-7-8(4-5-11(10)16-12)9-3-1-2-6-14-9;1-2/h1-3,6,8H,4-5,7H2,(H2,13,15);1-2H3.
What are the key properties of ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162744065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).