1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea

C16H17N5O2S2 — CID 126424571

IUPAC1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cnc2sccn2c1=O)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H17N5O2S2/c1-9(13-19-10-4-2-3-5-12(10)25-13)18-15(23)20-11-8-17-16-21(14(11)22)6-7-24-16/h6-9H,2-5H2,1H3,(H2,18,20,23)/t9-/m1/s1
InChIKeySPOQUPYPLMZKSW-SECBINFHSA-N
MW375.48 g/mol
LogP2.97
Rot. Bonds3

About 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea

1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea (PubChem CID 126424571) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
PubChem CID126424571
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cnc2sccn2c1=O)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H17N5O2S2/c1-9(13-19-10-4-2-3-5-12(10)25-13)18-15(23)20-11-8-17-16-21(14(11)22)6-7-24-16/h6-9H,2-5H2,1H3,(H2,18,20,23)/t9-/m1/s1
InChIKeySPOQUPYPLMZKSW-SECBINFHSA-N
XLogP2.97
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 125177927
1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 97444890
N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-2-(triazol-1-yl)acetamide
CID 118785667
2-methyl-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 95122186
5-methyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 122570604
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]prop-2-enamide
CID 139016663
3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 125441381
1-methyl-5-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethylcarbamoyl]pyrazole-4-carboxylic acid
CID 154869331
2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 162627637
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 125171302
6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 89382071
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea (CID 126424571) is 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea is C[C@@H](NC(=O)Nc1cnc2sccn2c1=O)c1nc2c(s1)CCCC2.
What is the InChIKey of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
The InChIKey is SPOQUPYPLMZKSW-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-9(13-19-10-4-2-3-5-12(10)25-13)18-15(23)20-11-8-17-16-21(14(11)22)6-7-24-16/h6-9H,2-5H2,1H3,(H2,18,20,23)/t9-/m1/s1.
What are the key properties of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea has a molecular weight of 375.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea is sourced from PubChem (CID 126424571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).