N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C15H19N5OS — CID 110252077

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCc1cnc(CCNC(=O)C2CCN(c3ncccn3)C2)s1
InChIInChI=1S/C15H19N5OS/c1-11-9-19-13(22-11)3-7-16-14(21)12-4-8-20(10-12)15-17-5-2-6-18-15/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,21)
InChIKeyYFFOYEFIIRMPEA-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110252077) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID110252077
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCc1cnc(CCNC(=O)C2CCN(c3ncccn3)C2)s1
InChIInChI=1S/C15H19N5OS/c1-11-9-19-13(22-11)3-7-16-14(21)12-4-8-20(10-12)15-17-5-2-6-18-15/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,21)
InChIKeyYFFOYEFIIRMPEA-UHFFFAOYSA-N
XLogP1.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[5-Methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351870
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 71684310
(3aR,6aS)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507632
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-1-one
CID 133508574
3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334191
3-fluoro-1-(5-fluoropyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334211
1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334243

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 110252077) is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is Cc1cnc(CCNC(=O)C2CCN(c3ncccn3)C2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YFFOYEFIIRMPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-9-19-13(22-11)3-7-16-14(21)12-4-8-20(10-12)15-17-5-2-6-18-15/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,21).
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110252077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).