(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine

C16H20N6S — CID 97353554

IUPAC(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine
SMILESCC(C)n1nnnc1CN[C@H](C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N6S/c1-11(2)22-15(19-20-21-22)9-17-12(3)16-18-14(10-23-16)13-7-5-4-6-8-13/h4-8,10-12,17H,9H2,1-3H3/t12-/m1/s1
InChIKeyZIFXLBQLLRJEKT-GFCCVEGCSA-N
MW328.45 g/mol
LogP3.23
Rot. Bonds6

About (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine

(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine (PubChem CID 97353554) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine
PubChem CID97353554
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine
SMILESCC(C)n1nnnc1CN[C@H](C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N6S/c1-11(2)22-15(19-20-21-22)9-17-12(3)16-18-14(10-23-16)13-7-5-4-6-8-13/h4-8,10-12,17H,9H2,1-3H3/t12-/m1/s1
InChIKeyZIFXLBQLLRJEKT-GFCCVEGCSA-N
XLogP3.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine (CID 97353554) is (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine is CC(C)n1nnnc1CN[C@H](C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine?
The InChIKey is ZIFXLBQLLRJEKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N6S/c1-11(2)22-15(19-20-21-22)9-17-12(3)16-18-14(10-23-16)13-7-5-4-6-8-13/h4-8,10-12,17H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine?
(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine has a molecular weight of 328.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 97353554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).