2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C10H14ClN5OS2 — CID 119688142

IUPAC2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCc1nnc(NC(=O)c2csc(CN)n2)s1.Cl
InChIInChI=1S/C10H13N5OS2.ClH/c1-2-3-7-14-15-10(18-7)13-9(16)6-5-17-8(4-11)12-6;/h5H,2-4,11H2,1H3,(H,13,15,16);1H
InChIKeyZTJNLLHNIJSDQN-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.08
Rot. Bonds5

About 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119688142) has the molecular formula C10H14ClN5OS2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119688142
Molecular FormulaC10H14ClN5OS2
Molecular Weight319.84 g/mol
Exact Mass319.03
IUPAC Name2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCc1nnc(NC(=O)c2csc(CN)n2)s1.Cl
InChIInChI=1S/C10H13N5OS2.ClH/c1-2-3-7-14-15-10(18-7)13-9(16)6-5-17-8(4-11)12-6;/h5H,2-4,11H2,1H3,(H,13,15,16);1H
InChIKeyZTJNLLHNIJSDQN-UHFFFAOYSA-N
XLogP2.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 107641921
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 120620106
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671103
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
2-(aminomethyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119713649
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
ethyl 2-[[5-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 120616917

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119688142) is 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CCCc1nnc(NC(=O)c2csc(CN)n2)s1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZTJNLLHNIJSDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2.ClH/c1-2-3-7-14-15-10(18-7)13-9(16)6-5-17-8(4-11)12-6;/h5H,2-4,11H2,1H3,(H,13,15,16);1H.
What are the key properties of 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119688142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).