N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C17H20N4O2S — CID 75423273

IUPACN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)Nc2cccc(N3CCCNC3=O)c2)n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)14-10-24-16(20-14)15(22)19-12-5-3-6-13(9-12)21-8-4-7-18-17(21)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyNUIMQZSHGJBBRP-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.44
Rot. Bonds4

About N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 75423273) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID75423273
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)Nc2cccc(N3CCCNC3=O)c2)n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)14-10-24-16(20-14)15(22)19-12-5-3-6-13(9-12)21-8-4-7-18-17(21)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyNUIMQZSHGJBBRP-UHFFFAOYSA-N
XLogP3.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
CID 99811761
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 122160047
2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 167784255
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 75423273) is N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)Nc2cccc(N3CCCNC3=O)c2)n1.
What is the InChIKey of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is NUIMQZSHGJBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)14-10-24-16(20-14)15(22)19-12-5-3-6-13(9-12)21-8-4-7-18-17(21)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 75423273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).