2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride

C17H22ClN3OS — CID 119300564

IUPAC2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1nc2c(s1)CCCCCC2)c1ccccc1
InChIInChI=1S/C17H21N3OS.ClH/c18-15(12-8-4-3-5-9-12)16(21)20-17-19-13-10-6-1-2-7-11-14(13)22-17;/h3-5,8-9,15H,1-2,6-7,10-11,18H2,(H,19,20,21);1H
InChIKeyGGQLLSPQPWKESQ-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.86
Rot. Bonds3

About 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride

2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride (PubChem CID 119300564) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
PubChem CID119300564
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1nc2c(s1)CCCCCC2)c1ccccc1
InChIInChI=1S/C17H21N3OS.ClH/c18-15(12-8-4-3-5-9-12)16(21)20-17-19-13-10-6-1-2-7-11-14(13)22-17;/h3-5,8-9,15H,1-2,6-7,10-11,18H2,(H,19,20,21);1H
InChIKeyGGQLLSPQPWKESQ-UHFFFAOYSA-N
XLogP3.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
2-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 119271168
2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 112760910
(2R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxy-2-phenylacetamide
CID 97311644
(2S)-2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119290962
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025680
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanediamide;hydrochloride
CID 119955825
1-[cyclopropyl(phenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824571
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pentanamide
CID 119277043
(2S)-2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-methylpentanamide
CID 119743841

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride (CID 119300564) is 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride is Cl.NC(C(=O)Nc1nc2c(s1)CCCCCC2)c1ccccc1.
What is the InChIKey of 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride?
The InChIKey is GGQLLSPQPWKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c18-15(12-8-4-3-5-9-12)16(21)20-17-19-13-10-6-1-2-7-11-14(13)22-17;/h3-5,8-9,15H,1-2,6-7,10-11,18H2,(H,19,20,21);1H.
What are the key properties of 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride?
2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119300564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).