N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine

C9H14N6S — CID 71972699

IUPACN-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCCCn1nnnc1CN(C)c1nccs1
InChIInChI=1S/C9H14N6S/c1-3-5-15-8(11-12-13-15)7-14(2)9-10-4-6-16-9/h4,6H,3,5,7H2,1-2H3
InChIKeyUOTUIPYPZLMPBU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.18
Rot. Bonds5

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

N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 71972699) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine
PubChem CID71972699
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC NameN-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCCCn1nnnc1CN(C)c1nccs1
InChIInChI=1S/C9H14N6S/c1-3-5-15-8(11-12-13-15)7-14(2)9-10-4-6-16-9/h4,6H,3,5,7H2,1-2H3
InChIKeyUOTUIPYPZLMPBU-UHFFFAOYSA-N
XLogP1.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine (CID 71972699) is N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine is CCCn1nnnc1CN(C)c1nccs1.
What is the InChIKey of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UOTUIPYPZLMPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-3-5-15-8(11-12-13-15)7-14(2)9-10-4-6-16-9/h4,6H,3,5,7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).