N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide

C16H19FN4OS — CID 99779305

IUPACN-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
SMILESCn1cc([C@H]2CSCCN2CC(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN4OS/c1-20-9-12(8-18-20)15-11-23-7-6-21(15)10-16(22)19-14-4-2-13(17)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyOVURLBFKYZZTIN-OAHLLOKOSA-N
MW334.42 g/mol
LogP2.29
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide

N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide (PubChem CID 99779305) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
PubChem CID99779305
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC NameN-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
SMILESCn1cc([C@H]2CSCCN2CC(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN4OS/c1-20-9-12(8-18-20)15-11-23-7-6-21(15)10-16(22)19-14-4-2-13(17)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyOVURLBFKYZZTIN-OAHLLOKOSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
CID 124622797
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66442954
2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide
CID 139001832
N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95570795
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
2-[[ethylamino-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111741699
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(1-methylpyrazol-4-yl)thiomorpholine
CID 120853784
1-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea
CID 17279709
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide
CID 124754680
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95569810
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide (CID 99779305) is N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide is Cn1cc([C@H]2CSCCN2CC(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
The InChIKey is OVURLBFKYZZTIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-20-9-12(8-18-20)15-11-23-7-6-21(15)10-16(22)19-14-4-2-13(17)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide is sourced from PubChem (CID 99779305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).