N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

C9H11N5S2 — CID 17456564

IUPACN-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(Sc2ncccn2)s1
InChIInChI=1S/C9H11N5S2/c1-6(2)12-8-13-14-9(16-8)15-7-10-4-3-5-11-7/h3-6H,1-2H3,(H,12,13)
InChIKeyKPMNULQBRKHTST-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.30
Rot. Bonds4

About N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 17456564) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID17456564
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(Sc2ncccn2)s1
InChIInChI=1S/C9H11N5S2/c1-6(2)12-8-13-14-9(16-8)15-7-10-4-3-5-11-7/h3-6H,1-2H3,(H,12,13)
InChIKeyKPMNULQBRKHTST-UHFFFAOYSA-N
XLogP2.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (CID 17456564) is N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(Sc2ncccn2)s1.
What is the InChIKey of N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KPMNULQBRKHTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-6(2)12-8-13-14-9(16-8)15-7-10-4-3-5-11-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 253.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17456564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).