N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C13H14N6S2 — CID 2997993

IUPACN-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1
InChIInChI=1S/C13H14N6S2/c1-9-3-5-10(6-4-9)14-12-15-11(7-20-12)8-21-13-16-17-18-19(13)2/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHYBPMVMFJHCPNE-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.01
Rot. Bonds5

About N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 2997993) has the molecular formula C13H14N6S2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID2997993
Molecular FormulaC13H14N6S2
Molecular Weight318.43 g/mol
Exact Mass318.07
IUPAC NameN-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1
InChIInChI=1S/C13H14N6S2/c1-9-3-5-10(6-4-9)14-12-15-11(7-20-12)8-21-13-16-17-18-19(13)2/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHYBPMVMFJHCPNE-UHFFFAOYSA-N
XLogP3.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-Phenyl-4-[(4h-1,2,4-Triazol-3-Ylsulfanyl)methyl]-1,3-Thiazol-2-Amine
CID 2366268
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9905053
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757244
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2115901
(4-Methyl-thiazol-2-yl)-p-tolyl-amine
CID 786458
5-Methyl-4-(2-phenylamino-thiazol-4-yl)-thiophene-2-carboxamidine
CID 18536897
N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 58624281
N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 89033252
4'-methyl-N~2~-(3-methylphenyl)-4,5'-bi-1,3-thiazole-2,2'-diamine dihydrobromide
CID 3157524
4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine
CID 655211
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 868422

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 2997993) is N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is HYBPMVMFJHCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S2/c1-9-3-5-10(6-4-9)14-12-15-11(7-20-12)8-21-13-16-17-18-19(13)2/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 318.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2997993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).