5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

C14H19ClN4O2S — CID 119532423

IUPAC5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnc2sccn2c1=O)C1CCNC1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-2-5-17(10-3-4-15-8-10)12(19)11-9-16-14-18(13(11)20)6-7-21-14;/h6-7,9-10,15H,2-5,8H2,1H3;1H
InChIKeyGMGHOFTWCJIEAD-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.39
Rot. Bonds4

About 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 119532423) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID119532423
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnc2sccn2c1=O)C1CCNC1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-2-5-17(10-3-4-15-8-10)12(19)11-9-16-14-18(13(11)20)6-7-21-14;/h6-7,9-10,15H,2-5,8H2,1H3;1H
InChIKeyGMGHOFTWCJIEAD-UHFFFAOYSA-N
XLogP1.39
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-4-oxo-N-piperidin-4-yl-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119823486
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119531656
N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99440786
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 61007953
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532930
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (CID 119532423) is 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is CCCN(C(=O)c1cnc2sccn2c1=O)C1CCNC1.Cl.
What is the InChIKey of 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is GMGHOFTWCJIEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S.ClH/c1-2-5-17(10-3-4-15-8-10)12(19)11-9-16-14-18(13(11)20)6-7-21-14;/h6-7,9-10,15H,2-5,8H2,1H3;1H.
What are the key properties of 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 342.85 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119532423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).