(6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C15H16N6S — CID 167971566

IUPAC(6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESc1ccc(Cn2nnnc2N[C@H]2CCc3ncsc3C2)cc1
InChIInChI=1S/C15H16N6S/c1-2-4-11(5-3-1)9-21-15(18-19-20-21)17-12-6-7-13-14(8-12)22-10-16-13/h1-5,10,12H,6-9H2,(H,17,18,20)/t12-/m0/s1
InChIKeyCTJXCRXAMSKYPU-LBPRGKRZSA-N
MW312.40 g/mol
LogP2.15
Rot. Bonds4

About (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

(6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 167971566) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name(6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID167971566
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name(6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESc1ccc(Cn2nnnc2N[C@H]2CCc3ncsc3C2)cc1
InChIInChI=1S/C15H16N6S/c1-2-4-11(5-3-1)9-21-15(18-19-20-21)17-12-6-7-13-14(8-12)22-10-16-13/h1-5,10,12H,6-9H2,(H,17,18,20)/t12-/m0/s1
InChIKeyCTJXCRXAMSKYPU-LBPRGKRZSA-N
XLogP2.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 167971566) is (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is c1ccc(Cn2nnnc2N[C@H]2CCc3ncsc3C2)cc1.
What is the InChIKey of (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is CTJXCRXAMSKYPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N6S/c1-2-4-11(5-3-1)9-21-15(18-19-20-21)17-12-6-7-13-14(8-12)22-10-16-13/h1-5,10,12H,6-9H2,(H,17,18,20)/t12-/m0/s1.
What are the key properties of (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
(6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 312.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(1-benzyltetrazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 167971566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).