CID 145071725

C24H25N4O2S — CID 145071725

IUPAC—
SMILESCOc1cccc(Cn2cnc3sc4c(c3c2=O)CCC(NCC2=C[CH]NC=C2)C4)c1
InChIInChI=1S/C24H25N4O2S/c1-30-19-4-2-3-17(11-19)14-28-15-27-23-22(24(28)29)20-6-5-18(12-21(20)31-23)26-13-16-7-9-25-10-8-16/h2-4,7-11,15,18,25-26H,5-6,12-14H2,1H3
InChIKeyGHXBGAYHXRSHDK-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.17
Rot. Bonds6

About CID 145071725

CID 145071725 (PubChem CID 145071725) has the molecular formula C24H25N4O2S and a molecular weight of 433.56 g/mol.

Molecular Properties

Compound NameCID 145071725
PubChem CID145071725
Molecular FormulaC24H25N4O2S
Molecular Weight433.56 g/mol
Exact Mass433.17
IUPAC Name—
SMILESCOc1cccc(Cn2cnc3sc4c(c3c2=O)CCC(NCC2=C[CH]NC=C2)C4)c1
InChIInChI=1S/C24H25N4O2S/c1-30-19-4-2-3-17(11-19)14-28-15-27-23-22(24(28)29)20-6-5-18(12-21(20)31-23)26-13-16-7-9-25-10-8-16/h2-4,7-11,15,18,25-26H,5-6,12-14H2,1H3
InChIKeyGHXBGAYHXRSHDK-UHFFFAOYSA-N
XLogP3.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclohexylmethylamino)-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 121313518
(7S)-3-[(1-methylpyrazol-4-yl)methyl]-7-[[3-(trifluoromethoxy)phenyl]methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 29150676
(7R)-3-[(2-methoxynaphthalen-1-yl)methyl]-7-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 30851915
3-[(3-fluorophenyl)methyl]-7-[(1-methylimidazol-2-yl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 126462683
3-benzyl-7-(2-methylpropylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 56860567
(7S)-7-(cyclopropylmethylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 26345727
(7S)-3-[(2-methoxyphenyl)methyl]-7-(2-phenylethylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 28811125
methyl 3-[[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]methyl]benzoate
CID 7729614
7-(pyrimidin-5-ylmethylamino)-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 121313524
(7R)-7-[(1-methylpyrazol-4-yl)methylamino]-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 30854432
7-(4-ethylpiperazin-1-yl)-3-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 56859474
methyl 3-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 44638645

Frequently Asked Questions

What is the IUPAC name of CID 145071725?
The IUPAC name of CID 145071725 (CID 145071725) is not available.
What is the SMILES notation for CID 145071725?
The canonical SMILES for CID 145071725 is COc1cccc(Cn2cnc3sc4c(c3c2=O)CCC(NCC2=C[CH]NC=C2)C4)c1.
What is the InChIKey of CID 145071725?
The InChIKey is GHXBGAYHXRSHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N4O2S/c1-30-19-4-2-3-17(11-19)14-28-15-27-23-22(24(28)29)20-6-5-18(12-21(20)31-23)26-13-16-7-9-25-10-8-16/h2-4,7-11,15,18,25-26H,5-6,12-14H2,1H3.
What are the key properties of CID 145071725?
CID 145071725 has a molecular weight of 433.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145071725 is sourced from PubChem (CID 145071725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).