N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C18H24N4OS — CID 110387096

IUPACN,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCC2)sc1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H24N4OS/c1-14-17(24-16(20-14)13-22-10-3-4-11-22)18(23)21(2)12-7-15-5-8-19-9-6-15/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyGFTFBJMLGMHJFR-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.76
Rot. Bonds6

About N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387096) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387096
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCC2)sc1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H24N4OS/c1-14-17(24-16(20-14)13-22-10-3-4-11-22)18(23)21(2)12-7-15-5-8-19-9-6-15/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyGFTFBJMLGMHJFR-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(methoxymethyl)-N,4-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110374824
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387104
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 63796409
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
1-[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387336
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387096) is N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCCC2)sc1C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GFTFBJMLGMHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-17(24-16(20-14)13-22-10-3-4-11-22)18(23)21(2)12-7-15-5-8-19-9-6-15/h5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).