5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride

C14H19ClN4OS — CID 120635768

IUPAC5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCc1nnc(C(C)C)s1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-8(2)14-18-17-12(20-14)7-16-13(19)11-6-10(15)5-4-9(11)3;/h4-6,8H,7,15H2,1-3H3,(H,16,19);1H
InChIKeyDYKFAOGHOZMLJK-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.90
Rot. Bonds4

About 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride

5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride (PubChem CID 120635768) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride
PubChem CID120635768
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCc1nnc(C(C)C)s1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-8(2)14-18-17-12(20-14)7-16-13(19)11-6-10(15)5-4-9(11)3;/h4-6,8H,7,15H2,1-3H3,(H,16,19);1H
InChIKeyDYKFAOGHOZMLJK-UHFFFAOYSA-N
XLogP2.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
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methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
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5-bromo-2-chloro-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyridine-3-carboxamide
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5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
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5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride (CID 120635768) is 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCc1nnc(C(C)C)s1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride?
The InChIKey is DYKFAOGHOZMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c1-8(2)14-18-17-12(20-14)7-16-13(19)11-6-10(15)5-4-9(11)3;/h4-6,8H,7,15H2,1-3H3,(H,16,19);1H.
What are the key properties of 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120635768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).