1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one

C20H24N4O2S — CID 58031436

IUPAC1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
SMILESCc1nc(N2CCCN(CC3CC3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C20H24N4O2S/c1-14-18(17(25)8-7-15-4-2-9-21-12-15)27-19(22-14)24-11-3-10-23(20(24)26)13-16-5-6-16/h2,4,9,12,16H,3,5-8,10-11,13H2,1H3
InChIKeyIHNQBPNEDHMZOF-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.70
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one

1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one (PubChem CID 58031436) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
PubChem CID58031436
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
SMILESCc1nc(N2CCCN(CC3CC3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C20H24N4O2S/c1-14-18(17(25)8-7-15-4-2-9-21-12-15)27-19(22-14)24-11-3-10-23(20(24)26)13-16-5-6-16/h2,4,9,12,16H,3,5-8,10-11,13H2,1H3
InChIKeyIHNQBPNEDHMZOF-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 58051090
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051068
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031474
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031711
2-(cyclopropylmethyl)-4-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-1,2,4-triazol-3-one
CID 58051140
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 59481204
(5R)-7-(cyclopropylmethyl)-2-(3-pyridin-3-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156301

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one (CID 58031436) is 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one is Cc1nc(N2CCCN(CC3CC3)C2=O)sc1C(=O)CCc1cccnc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The InChIKey is IHNQBPNEDHMZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14-18(17(25)8-7-15-4-2-9-21-12-15)27-19(22-14)24-11-3-10-23(20(24)26)13-16-5-6-16/h2,4,9,12,16H,3,5-8,10-11,13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one has a molecular weight of 384.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 58031436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).