N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine

C10H16N6S2 — CID 112644510

IUPACN-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1nnnc1SCc1cncs1
InChIInChI=1S/C10H16N6S2/c1-8(2)12-3-4-16-10(13-14-15-16)17-6-9-5-11-7-18-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyROFJTQYSHLIXNP-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.42
Rot. Bonds7

About N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine

N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine (PubChem CID 112644510) has the molecular formula C10H16N6S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
PubChem CID112644510
Molecular FormulaC10H16N6S2
Molecular Weight284.41 g/mol
Exact Mass284.09
IUPAC NameN-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1nnnc1SCc1cncs1
InChIInChI=1S/C10H16N6S2/c1-8(2)12-3-4-16-10(13-14-15-16)17-6-9-5-11-7-18-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyROFJTQYSHLIXNP-UHFFFAOYSA-N
XLogP1.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine (CID 112644510) is N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine is CC(C)NCCn1nnnc1SCc1cncs1.
What is the InChIKey of N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is ROFJTQYSHLIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S2/c1-8(2)12-3-4-16-10(13-14-15-16)17-6-9-5-11-7-18-9/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 284.41 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 112644510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).