2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H26N4OS — CID 120872364

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H26N4OS/c20-11-13-23(12-10-15-6-2-1-3-7-15)14-18(24)22-19-21-16-8-4-5-9-17(16)25-19/h1-3,6-7H,4-5,8-14,20H2,(H,21,22,24)
InChIKeyQHPGTWZWXXCYLL-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.46
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 120872364) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID120872364
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H26N4OS/c20-11-13-23(12-10-15-6-2-1-3-7-15)14-18(24)22-19-21-16-8-4-5-9-17(16)25-19/h1-3,6-7H,4-5,8-14,20H2,(H,21,22,24)
InChIKeyQHPGTWZWXXCYLL-UHFFFAOYSA-N
XLogP2.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47070902
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 33041075
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063
2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 8025177

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 120872364) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is NCCN(CCc1ccccc1)CC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QHPGTWZWXXCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c20-11-13-23(12-10-15-6-2-1-3-7-15)14-18(24)22-19-21-16-8-4-5-9-17(16)25-19/h1-3,6-7H,4-5,8-14,20H2,(H,21,22,24).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 120872364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).