[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate

C17H14N6O2S — CID 71134337

IUPAC[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
SMILESCc1nc(-c2nccs2)ncc1OC(=O)Nn1cc(C)c2cnccc21
InChIInChI=1S/C17H14N6O2S/c1-10-9-23(13-3-4-18-7-12(10)13)22-17(24)25-14-8-20-15(21-11(14)2)16-19-5-6-26-16/h3-9H,1-2H3,(H,22,24)
InChIKeyDUNGVUBCKOSLRZ-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.31
Rot. Bonds3

About [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate

[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate (PubChem CID 71134337) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate.

Molecular Properties

Compound Name[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
PubChem CID71134337
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
SMILESCc1nc(-c2nccs2)ncc1OC(=O)Nn1cc(C)c2cnccc21
InChIInChI=1S/C17H14N6O2S/c1-10-9-23(13-3-4-18-7-12(10)13)22-17(24)25-14-8-20-15(21-11(14)2)16-19-5-6-26-16/h3-9H,1-2H3,(H,22,24)
InChIKeyDUNGVUBCKOSLRZ-UHFFFAOYSA-N
XLogP3.31
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate?
The IUPAC name of [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate (CID 71134337) is [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate.
What is the SMILES notation for [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate?
The canonical SMILES for [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate is Cc1nc(-c2nccs2)ncc1OC(=O)Nn1cc(C)c2cnccc21.
What is the InChIKey of [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate?
The InChIKey is DUNGVUBCKOSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-10-9-23(13-3-4-18-7-12(10)13)22-17(24)25-14-8-20-15(21-11(14)2)16-19-5-6-26-16/h3-9H,1-2H3,(H,22,24).
What are the key properties of [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate?
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate has a molecular weight of 366.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate is sourced from PubChem (CID 71134337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).