2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one

C13H15N5OS2 — CID 63809912

IUPAC2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)NCc1c(Sc2nccc(=O)[nH]2)nc2sccn12
InChIInChI=1S/C13H15N5OS2/c1-8(2)15-7-9-11(17-13-18(9)5-6-20-13)21-12-14-4-3-10(19)16-12/h3-6,8,15H,7H2,1-2H3,(H,14,16,19)
InChIKeyUNXUFUCYVIYUNV-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.13
Rot. Bonds5

About 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one

2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 63809912) has the molecular formula C13H15N5OS2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID63809912
Molecular FormulaC13H15N5OS2
Molecular Weight321.43 g/mol
Exact Mass321.07
IUPAC Name2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)NCc1c(Sc2nccc(=O)[nH]2)nc2sccn12
InChIInChI=1S/C13H15N5OS2/c1-8(2)15-7-9-11(17-13-18(9)5-6-20-13)21-12-14-4-3-10(19)16-12/h3-6,8,15H,7H2,1-2H3,(H,14,16,19)
InChIKeyUNXUFUCYVIYUNV-UHFFFAOYSA-N
XLogP2.13
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
CID 63819149
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63809866
N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63807247
N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63805227
N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43476542
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63809390
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63808415
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
N-[[6-[(6-methyl-3-pyridinyl)oxy]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62074983
1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64781178
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one (CID 63809912) is 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one is CC(C)NCc1c(Sc2nccc(=O)[nH]2)nc2sccn12.
What is the InChIKey of 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UNXUFUCYVIYUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS2/c1-8(2)15-7-9-11(17-13-18(9)5-6-20-13)21-12-14-4-3-10(19)16-12/h3-6,8,15H,7H2,1-2H3,(H,14,16,19).
What are the key properties of 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 321.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63809912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).