N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H23N5OS — CID 35340365

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C16H23N5OS/c1-10-12(11(2)21(4)19-10)5-6-15(22)18-16-17-13-7-8-20(3)9-14(13)23-16/h5-9H2,1-4H3,(H,17,18,22)
InChIKeySMOLNKQOFDNEIK-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.05
Rot. Bonds4

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 35340365) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID35340365
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C16H23N5OS/c1-10-12(11(2)21(4)19-10)5-6-15(22)18-16-17-13-7-8-20(3)9-14(13)23-16/h5-9H2,1-4H3,(H,17,18,22)
InChIKeySMOLNKQOFDNEIK-UHFFFAOYSA-N
XLogP2.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 35340365) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is SMOLNKQOFDNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-10-12(11(2)21(4)19-10)5-6-15(22)18-16-17-13-7-8-20(3)9-14(13)23-16/h5-9H2,1-4H3,(H,17,18,22).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35340365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).