3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide

C19H25N3OS — CID 119884767

IUPAC3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1nc2c(s1)CCCC2)C(N)c1ccccc1
InChIInChI=1S/C19H25N3OS/c1-13(18(20)14-8-4-3-5-9-14)19(23)22(2)12-17-21-15-10-6-7-11-16(15)24-17/h3-5,8-9,13,18H,6-7,10-12,20H2,1-2H3
InChIKeyZWSZHXFWZUKITO-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.32
Rot. Bonds5

About 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide

3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide (PubChem CID 119884767) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
PubChem CID119884767
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1nc2c(s1)CCCC2)C(N)c1ccccc1
InChIInChI=1S/C19H25N3OS/c1-13(18(20)14-8-4-3-5-9-14)19(23)22(2)12-17-21-15-10-6-7-11-16(15)24-17/h3-5,8-9,13,18H,6-7,10-12,20H2,1-2H3
InChIKeyZWSZHXFWZUKITO-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide;dihydrochloride
CID 119884776
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-phenylpropanamide
CID 119835324
2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 120670304
(2R)-2-(methanesulfonamido)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 96787601
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884791
N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide
CID 135104076
N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873
1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119884799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide (CID 119884767) is 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide is CC(C(=O)N(C)Cc1nc2c(s1)CCCC2)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
The InChIKey is ZWSZHXFWZUKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13(18(20)14-8-4-3-5-9-14)19(23)22(2)12-17-21-15-10-6-7-11-16(15)24-17/h3-5,8-9,13,18H,6-7,10-12,20H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide has a molecular weight of 343.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 119884767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).