(2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C20H22N4O3S — CID 71579464

IUPAC(2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](CC1CCCCC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3S/c25-17(23-19-21-10-11-28-19)16(12-13-6-2-1-3-7-13)24-18(26)14-8-4-5-9-15(14)22-20(24)27/h4-5,8-11,13,16H,1-3,6-7,12H2,(H,22,27)(H,21,23,25)/t16-/m0/s1
InChIKeyZTNLFYSEFQEHRT-INIZCTEOSA-N
MW398.49 g/mol
LogP3.30
Rot. Bonds5

About (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71579464) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71579464
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](CC1CCCCC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3S/c25-17(23-19-21-10-11-28-19)16(12-13-6-2-1-3-7-13)24-18(26)14-8-4-5-9-15(14)22-20(24)27/h4-5,8-11,13,16H,1-3,6-7,12H2,(H,22,27)(H,21,23,25)/t16-/m0/s1
InChIKeyZTNLFYSEFQEHRT-INIZCTEOSA-N
XLogP3.30
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829002
2-[8-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829038
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
2-[5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829044
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 70683717
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
2-(isopropylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl)thiazole-5-carboxamide
CID 11256035
4-hydroxy-2-[(S) 1-[(1-oxopropyl)-amino]-propyl]-N-(2-thiazolyl)-8-trifluoromethyl-3-quinoline carboxamide
CID 14140575
1-Oxo-1,2-dihydro-6H-pyrrolo[3,2,1-de]acridine-2-carboxylic acid thiazol-2-ylamide
CID 14459997

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 71579464) is (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZTNLFYSEFQEHRT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-17(23-19-21-10-11-28-19)16(12-13-6-2-1-3-7-13)24-18(26)14-8-4-5-9-15(14)22-20(24)27/h4-5,8-11,13,16H,1-3,6-7,12H2,(H,22,27)(H,21,23,25)/t16-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71579464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).