N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C8H12N6S2 — CID 79774889

IUPACN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnnn2C)s1
InChIInChI=1S/C8H12N6S2/c1-3-9-7-10-4-6(16-7)5-15-8-11-12-13-14(8)2/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyORHNAOYBSYPUOB-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.39
Rot. Bonds5

About N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 79774889) has the molecular formula C8H12N6S2 and a molecular weight of 256.36 g/mol. Its IUPAC name is N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID79774889
Molecular FormulaC8H12N6S2
Molecular Weight256.36 g/mol
Exact Mass256.06
IUPAC NameN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnnn2C)s1
InChIInChI=1S/C8H12N6S2/c1-3-9-7-10-4-6(16-7)5-15-8-11-12-13-14(8)2/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyORHNAOYBSYPUOB-UHFFFAOYSA-N
XLogP1.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2202545
N-cyano-N'-methyl-N''-(2-((2-amino-5-thiazolyl)methylthio)ethyl)guanidine
CID 149370
N,N'-[methylene-bis-(thiomethylene)]-bis-(5-methyl-1,3-thiazole-2-amine)
CID 129748277
N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522991
N-(5-methyl-1,3-thiazol-2-yl)-3-(1H-tetrazol-1-yl)propanamide
CID 5301294
5-[3-(1-Methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine
CID 13138421
N-methyl-5-((thiazol-2-ylamino)methyl)thiazol-2-amine
CID 25001115
5-Methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 58458813
5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 58672133
N,N-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)tetrazol-5-amine
CID 59059062
N,N'-bis(5-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 89867058
5-[(1-Methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 13206579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 79774889) is N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is CCNc1ncc(CSc2nnnn2C)s1.
What is the InChIKey of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is ORHNAOYBSYPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S2/c1-3-9-7-10-4-6(16-7)5-15-8-11-12-13-14(8)2/h4H,3,5H2,1-2H3,(H,9,10).
What are the key properties of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 256.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).