N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine

C15H19N7S — CID 130384549

IUPACN-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(N2CCN(Cc3cc4ncccn4c3)CC2)s1
InChIInChI=1S/C15H19N7S/c1-16-14-18-19-15(23-14)21-7-5-20(6-8-21)10-12-9-13-17-3-2-4-22(13)11-12/h2-4,9,11H,5-8,10H2,1H3,(H,16,18)
InChIKeyDJNOLNBGRLUKQN-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine

N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 130384549) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID130384549
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC NameN-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(N2CCN(Cc3cc4ncccn4c3)CC2)s1
InChIInChI=1S/C15H19N7S/c1-16-14-18-19-15(23-14)21-7-5-20(6-8-21)10-12-9-13-17-3-2-4-22(13)11-12/h2-4,9,11H,5-8,10H2,1H3,(H,16,18)
InChIKeyDJNOLNBGRLUKQN-UHFFFAOYSA-N
XLogP1.55
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine (CID 130384549) is N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine is CNc1nnc(N2CCN(Cc3cc4ncccn4c3)CC2)s1.
What is the InChIKey of N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DJNOLNBGRLUKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-16-14-18-19-15(23-14)21-7-5-20(6-8-21)10-12-9-13-17-3-2-4-22(13)11-12/h2-4,9,11H,5-8,10H2,1H3,(H,16,18).
What are the key properties of N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 329.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(pyrrolo[1,2-a]pyrimidin-7-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130384549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).