5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

C12H12N6S2 — CID 43249746

IUPAC5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C12H12N6S2/c13-12-14-6-11(20-12)19-8-10-15-16-17-18(10)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14)
InChIKeyDOYVYOYEIBTEQX-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.05
Rot. Bonds5

About 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249746) has the molecular formula C12H12N6S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249746
Molecular FormulaC12H12N6S2
Molecular Weight304.40 g/mol
Exact Mass304.06
IUPAC Name5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C12H12N6S2/c13-12-14-6-11(20-12)19-8-10-15-16-17-18(10)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14)
InChIKeyDOYVYOYEIBTEQX-UHFFFAOYSA-N
XLogP2.05
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1-benzyltetrazol-5-yl)methylsulfanyl]aniline
CID 79127892
5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250005
(1-benzyltetrazol-5-yl)methyl N-(diaminomethylidene)carbamimidothioate
CID 83083228
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
1-benzyltetrazole-5-carboxamide
CID 122714819
5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 74315241
2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
CID 18707764
1-benzyl-5-chlorotetrazole
CID 46835417
4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
CID 133408075
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
CID 60560295
5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 24706082

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43249746) is 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCc2nnnn2Cc2ccccc2)s1.
What is the InChIKey of 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is DOYVYOYEIBTEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S2/c13-12-14-6-11(20-12)19-8-10-15-16-17-18(10)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14).
What are the key properties of 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 304.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).