N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H22N4O2S — CID 46974711

IUPACN-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NC(CCN(C)C)c3ccccc3)cnc2s1
InChIInChI=1S/C19H22N4O2S/c1-13-12-23-18(25)15(11-20-19(23)26-13)17(24)21-16(9-10-22(2)3)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,21,24)
InChIKeyIRTBSLTUSDYHNM-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46974711) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46974711
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NC(CCN(C)C)c3ccccc3)cnc2s1
InChIInChI=1S/C19H22N4O2S/c1-13-12-23-18(25)15(11-20-19(23)26-13)17(24)21-16(9-10-22(2)3)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,21,24)
InChIKeyIRTBSLTUSDYHNM-UHFFFAOYSA-N
XLogP2.49
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18573669
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 122558966
2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 97255982
N-[(2-chlorophenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7260694
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24516198
2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890165
N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974717
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627363

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46974711) is N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NC(CCN(C)C)c3ccccc3)cnc2s1.
What is the InChIKey of N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IRTBSLTUSDYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-12-23-18(25)15(11-20-19(23)26-13)17(24)21-16(9-10-22(2)3)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46974711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).