N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C15H18N6S — CID 70710880

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2cn3c(n2)SCC3)n2nccc2n1
InChIInChI=1S/C15H18N6S/c1-2-3-11-8-14(21-13(18-11)4-5-17-21)16-9-12-10-20-6-7-22-15(20)19-12/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKeyMHNDYTHJRBPMGO-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.60
Rot. Bonds5

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70710880) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70710880
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2cn3c(n2)SCC3)n2nccc2n1
InChIInChI=1S/C15H18N6S/c1-2-3-11-8-14(21-13(18-11)4-5-17-21)16-9-12-10-20-6-7-22-15(20)19-12/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKeyMHNDYTHJRBPMGO-UHFFFAOYSA-N
XLogP2.60
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70710880) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCc2cn3c(n2)SCC3)n2nccc2n1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MHNDYTHJRBPMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-2-3-11-8-14(21-13(18-11)4-5-17-21)16-9-12-10-20-6-7-22-15(20)19-12/h4-5,8,10,16H,2-3,6-7,9H2,1H3.
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70710880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).