2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H21N5OS — CID 91835506

IUPAC2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(CN(C)Cc2cc(=O)n3cc(C)sc3n2)[nH]n1
InChIInChI=1S/C16H21N5OS/c1-4-5-12-6-14(19-18-12)10-20(3)9-13-7-15(22)21-8-11(2)23-16(21)17-13/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyUNNDVFDTUQHTEN-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.37
Rot. Bonds6

About 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91835506) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91835506
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(CN(C)Cc2cc(=O)n3cc(C)sc3n2)[nH]n1
InChIInChI=1S/C16H21N5OS/c1-4-5-12-6-14(19-18-12)10-20(3)9-13-7-15(22)21-8-11(2)23-16(21)17-13/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyUNNDVFDTUQHTEN-UHFFFAOYSA-N
XLogP2.37
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91835506) is 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(CN(C)Cc2cc(=O)n3cc(C)sc3n2)[nH]n1.
What is the InChIKey of 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UNNDVFDTUQHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-4-5-12-6-14(19-18-12)10-20(3)9-13-7-15(22)21-8-11(2)23-16(21)17-13/h6-8H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 331.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91835506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).