N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C10H17N5S — CID 119159306

IUPACN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)c1nnc(CNC2=NCCCN2)s1
InChIInChI=1S/C10H17N5S/c1-7(2)9-15-14-8(16-9)6-13-10-11-4-3-5-12-10/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyYTOHKGDGEYIFML-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.10
Rot. Bonds3

About N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 119159306) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID119159306
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)c1nnc(CNC2=NCCCN2)s1
InChIInChI=1S/C10H17N5S/c1-7(2)9-15-14-8(16-9)6-13-10-11-4-3-5-12-10/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyYTOHKGDGEYIFML-UHFFFAOYSA-N
XLogP1.10
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 119159306) is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)c1nnc(CNC2=NCCCN2)s1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is YTOHKGDGEYIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-7(2)9-15-14-8(16-9)6-13-10-11-4-3-5-12-10/h7H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 239.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 119159306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).