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

C9H13N5S — CID 103883690

IUPAC4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ncn(C)n2)sc1C
InChIInChI=1S/C9H13N5S/c1-6-7(2)15-9(12-6)10-4-8-11-5-14(3)13-8/h5H,4H2,1-3H3,(H,10,12)
InChIKeyCVSSSAWYRKFSJO-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.50
Rot. Bonds3

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

4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 103883690) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID103883690
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ncn(C)n2)sc1C
InChIInChI=1S/C9H13N5S/c1-6-7(2)15-9(12-6)10-4-8-11-5-14(3)13-8/h5H,4H2,1-3H3,(H,10,12)
InChIKeyCVSSSAWYRKFSJO-UHFFFAOYSA-N
XLogP1.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 103883690) is 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCc2ncn(C)n2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CVSSSAWYRKFSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-7(2)15-9(12-6)10-4-8-11-5-14(3)13-8/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 223.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103883690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).