N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine

C14H14N6S2 — CID 167824252

IUPACN-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine
SMILESc1csc(-c2cc(NCc3nnc(C4CNC4)s3)ncn2)c1
InChIInChI=1S/C14H14N6S2/c1-2-11(21-3-1)10-4-12(18-8-17-10)16-7-13-19-20-14(22-13)9-5-15-6-9/h1-4,8-9,15H,5-7H2,(H,16,17,18)
InChIKeyHRNSCARDRMVCPM-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.36
Rot. Bonds5

About N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine

N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine (PubChem CID 167824252) has the molecular formula C14H14N6S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine
PubChem CID167824252
Molecular FormulaC14H14N6S2
Molecular Weight330.44 g/mol
Exact Mass330.07
IUPAC NameN-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine
SMILESc1csc(-c2cc(NCc3nnc(C4CNC4)s3)ncn2)c1
InChIInChI=1S/C14H14N6S2/c1-2-11(21-3-1)10-4-12(18-8-17-10)16-7-13-19-20-14(22-13)9-5-15-6-9/h1-4,8-9,15H,5-7H2,(H,16,17,18)
InChIKeyHRNSCARDRMVCPM-UHFFFAOYSA-N
XLogP2.36
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine (CID 167824252) is N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine is c1csc(-c2cc(NCc3nnc(C4CNC4)s3)ncn2)c1.
What is the InChIKey of N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is HRNSCARDRMVCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S2/c1-2-11(21-3-1)10-4-12(18-8-17-10)16-7-13-19-20-14(22-13)9-5-15-6-9/h1-4,8-9,15H,5-7H2,(H,16,17,18).
What are the key properties of N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine?
N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 167824252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).