2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride

C15H19ClN4OS — CID 119816640

IUPAC2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS.ClH/c20-13(9-16-8-11-6-7-11)17-10-14-18-19-15(21-14)12-4-2-1-3-5-12;/h1-5,11,16H,6-10H2,(H,17,20);1H
InChIKeyZQRNVSXIHFYJBL-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.24
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride (PubChem CID 119816640) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
PubChem CID119816640
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS.ClH/c20-13(9-16-8-11-6-7-11)17-10-14-18-19-15(21-14)12-4-2-1-3-5-12;/h1-5,11,16H,6-10H2,(H,17,20);1H
InChIKeyZQRNVSXIHFYJBL-UHFFFAOYSA-N
XLogP2.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide
CID 75380368
2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 154751637
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride (CID 119816640) is 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is ZQRNVSXIHFYJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.ClH/c20-13(9-16-8-11-6-7-11)17-10-14-18-19-15(21-14)12-4-2-1-3-5-12;/h1-5,11,16H,6-10H2,(H,17,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119816640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).