N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C7H11N5S — CID 130952141

IUPACN-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1nnsc1CNC1=NCCCN1
InChIInChI=1S/C7H11N5S/c1-2-8-7(9-3-1)10-4-6-5-11-12-13-6/h5H,1-4H2,(H2,8,9,10)
InChIKeyQKULGVRQAIMAPQ-UHFFFAOYSA-N
MW197.27 g/mol
LogP-0.02
Rot. Bonds2

About N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 130952141) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID130952141
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC NameN-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1nnsc1CNC1=NCCCN1
InChIInChI=1S/C7H11N5S/c1-2-8-7(9-3-1)10-4-6-5-11-12-13-6/h5H,1-4H2,(H2,8,9,10)
InChIKeyQKULGVRQAIMAPQ-UHFFFAOYSA-N
XLogP-0.02
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 130952141) is N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is c1nnsc1CNC1=NCCCN1.
What is the InChIKey of N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is QKULGVRQAIMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-2-8-7(9-3-1)10-4-6-5-11-12-13-6/h5H,1-4H2,(H2,8,9,10).
What are the key properties of N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 197.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 130952141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).