N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine

C10H13N7S — CID 13241938

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ncn(Cc2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C10H13N7S/c1-2-12-9(13-3-1)16-10-15-8(5-18-10)4-17-7-11-6-14-17/h5-7H,1-4H2,(H2,12,13,15,16)
InChIKeyZTFJUIXHFMLSHH-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.54
Rot. Bonds3

About N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine

N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 13241938) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID13241938
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ncn(Cc2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C10H13N7S/c1-2-12-9(13-3-1)16-10-15-8(5-18-10)4-17-7-11-6-14-17/h5-7H,1-4H2,(H2,12,13,15,16)
InChIKeyZTFJUIXHFMLSHH-UHFFFAOYSA-N
XLogP0.54
TPSA80.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine (CID 13241938) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine is c1ncn(Cc2csc(NC3=NCCCN3)n2)n1.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is ZTFJUIXHFMLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-2-12-9(13-3-1)16-10-15-8(5-18-10)4-17-7-11-6-14-17/h5-7H,1-4H2,(H2,12,13,15,16).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 263.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 13241938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).