2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C16H17N5O2S — CID 119059165

IUPAC2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1sc2nc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)cn2c1C
InChIInChI=1S/C16H17N5O2S/c1-8-9(2)24-16-19-11(7-21(8)16)5-18-14(22)12-6-17-13(10-3-4-10)20-15(12)23/h6-7,10H,3-5H2,1-2H3,(H,18,22)(H,17,20,23)
InChIKeyYHWCZCODDKREBQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.90
Rot. Bonds4

About 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 119059165) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID119059165
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1sc2nc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)cn2c1C
InChIInChI=1S/C16H17N5O2S/c1-8-9(2)24-16-19-11(7-21(8)16)5-18-14(22)12-6-17-13(10-3-4-10)20-15(12)23/h6-7,10H,3-5H2,1-2H3,(H,18,22)(H,17,20,23)
InChIKeyYHWCZCODDKREBQ-UHFFFAOYSA-N
XLogP1.90
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 119059165) is 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1sc2nc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)cn2c1C.
What is the InChIKey of 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YHWCZCODDKREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-8-9(2)24-16-19-11(7-21(8)16)5-18-14(22)12-6-17-13(10-3-4-10)20-15(12)23/h6-7,10H,3-5H2,1-2H3,(H,18,22)(H,17,20,23).
What are the key properties of 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 119059165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).