4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole

C14H17N3S — CID 174716175

IUPAC4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)CC1CSC(c2c[nH]c3cccnc23)=N1
InChIInChI=1S/C14H17N3S/c1-9(2)6-10-8-18-14(17-10)11-7-16-12-4-3-5-15-13(11)12/h3-5,7,9-10,16H,6,8H2,1-2H3
InChIKeyMAKXTPUUURPNQT-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.47
Rot. Bonds3

About 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole

4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 174716175) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
PubChem CID174716175
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)CC1CSC(c2c[nH]c3cccnc23)=N1
InChIInChI=1S/C14H17N3S/c1-9(2)6-10-8-18-14(17-10)11-7-16-12-4-3-5-15-13(11)12/h3-5,7,9-10,16H,6,8H2,1-2H3
InChIKeyMAKXTPUUURPNQT-UHFFFAOYSA-N
XLogP3.47
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole (CID 174716175) is 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole is CC(C)CC1CSC(c2c[nH]c3cccnc23)=N1.
What is the InChIKey of 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is MAKXTPUUURPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9(2)6-10-8-18-14(17-10)11-7-16-12-4-3-5-15-13(11)12/h3-5,7,9-10,16H,6,8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole?
4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174716175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).