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

C14H16N6S — CID 133308589

IUPACN-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2N(C)Cc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N6S/c1-10-4-6-12(7-5-10)20-14(16-17-18-20)19(3)8-13-15-11(2)9-21-13/h4-7,9H,8H2,1-3H3
InChIKeyOLYGOKUDRAJQII-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.37
Rot. Bonds4

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

N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine (PubChem CID 133308589) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine
PubChem CID133308589
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2N(C)Cc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N6S/c1-10-4-6-12(7-5-10)20-14(16-17-18-20)19(3)8-13-15-11(2)9-21-13/h4-7,9H,8H2,1-3H3
InChIKeyOLYGOKUDRAJQII-UHFFFAOYSA-N
XLogP2.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine (CID 133308589) is N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine is Cc1ccc(-n2nnnc2N(C)Cc2nc(C)cs2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine?
The InChIKey is OLYGOKUDRAJQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-10-4-6-12(7-5-10)20-14(16-17-18-20)19(3)8-13-15-11(2)9-21-13/h4-7,9H,8H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine?
N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine has a molecular weight of 300.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 133308589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).