2-anilino-N-(thian-4-yl)acetamide;hydrochloride

C13H19ClN2OS — CID 119765688

IUPAC2-anilino-N-(thian-4-yl)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NC1CCSCC1
InChIInChI=1S/C13H18N2OS.ClH/c16-13(15-12-6-8-17-9-7-12)10-14-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2,(H,15,16);1H
InChIKeyHTGIWQDKQVXYHV-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.53
Rot. Bonds4

About 2-anilino-N-(thian-4-yl)acetamide;hydrochloride

2-anilino-N-(thian-4-yl)acetamide;hydrochloride (PubChem CID 119765688) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-anilino-N-(thian-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-(thian-4-yl)acetamide;hydrochloride
PubChem CID119765688
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-anilino-N-(thian-4-yl)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NC1CCSCC1
InChIInChI=1S/C13H18N2OS.ClH/c16-13(15-12-6-8-17-9-7-12)10-14-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2,(H,15,16);1H
InChIKeyHTGIWQDKQVXYHV-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-anilino-N-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119716294
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604
2-anilino-N-(6-oxopiperidin-3-yl)acetamide
CID 63663554
2-(2-aminophenyl)-N-(thian-4-yl)acetamide
CID 115753416
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide
CID 103723452
1-phenyl-3-(thiolan-3-yl)urea
CID 2805565
N-cyclopropyl-2-(thiophen-3-ylamino)acetamide
CID 66350850

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(thian-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-(thian-4-yl)acetamide;hydrochloride (CID 119765688) is 2-anilino-N-(thian-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-(thian-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-(thian-4-yl)acetamide;hydrochloride is Cl.O=C(CNc1ccccc1)NC1CCSCC1.
What is the InChIKey of 2-anilino-N-(thian-4-yl)acetamide;hydrochloride?
The InChIKey is HTGIWQDKQVXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c16-13(15-12-6-8-17-9-7-12)10-14-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2,(H,15,16);1H.
What are the key properties of 2-anilino-N-(thian-4-yl)acetamide;hydrochloride?
2-anilino-N-(thian-4-yl)acetamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(thian-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119765688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).