N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C10H13N5S2 — CID 119047027

IUPACN-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2ncccn2)s1
InChIInChI=1S/C10H13N5S2/c1-2-4-13-9-14-15-10(17-9)16-7-8-11-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,13,14)
InChIKeyFECBUYLFQLJZHQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.44
Rot. Bonds6

About N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 119047027) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID119047027
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2ncccn2)s1
InChIInChI=1S/C10H13N5S2/c1-2-4-13-9-14-15-10(17-9)16-7-8-11-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,13,14)
InChIKeyFECBUYLFQLJZHQ-UHFFFAOYSA-N
XLogP2.44
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 119047027) is N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SCc2ncccn2)s1.
What is the InChIKey of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FECBUYLFQLJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-2-4-13-9-14-15-10(17-9)16-7-8-11-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,13,14).
What are the key properties of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119047027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).