4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide

C21H21N5O2S — CID 110247436

IUPAC4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN2C(=O)c2scnc2C)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N5O2S/c1-13-16(20(27)25-15-7-4-3-5-8-15)11-22-19(24-13)17-9-6-10-26(17)21(28)18-14(2)23-12-29-18/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,25,27)
InChIKeySPHNMFIAWUGRIJ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.78
Rot. Bonds4

About 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide

4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 110247436) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
PubChem CID110247436
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN2C(=O)c2scnc2C)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N5O2S/c1-13-16(20(27)25-15-7-4-3-5-8-15)11-22-19(24-13)17-9-6-10-26(17)21(28)18-14(2)23-12-29-18/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,25,27)
InChIKeySPHNMFIAWUGRIJ-UHFFFAOYSA-N
XLogP3.78
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4-methyl-2-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637091
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637247
4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 92637327
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide (CID 110247436) is 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide is Cc1nc(C2CCCN2C(=O)c2scnc2C)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is SPHNMFIAWUGRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-13-16(20(27)25-15-7-4-3-5-8-15)11-22-19(24-13)17-9-6-10-26(17)21(28)18-14(2)23-12-29-18/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).