N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride

C15H16Cl3N3OS — CID 154578034

IUPACN-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride
SMILESCl.NCC1(c2ccccc2)CC(NC(=O)c2snc(Cl)c2Cl)C1
InChIInChI=1S/C15H15Cl2N3OS.ClH/c16-11-12(22-20-13(11)17)14(21)19-10-6-15(7-10,8-18)9-4-2-1-3-5-9;/h1-5,10H,6-8,18H2,(H,19,21);1H
InChIKeyGPYXDDCDNCKRJU-UHFFFAOYSA-N
MW392.74 g/mol
LogP3.66
Rot. Bonds4

About N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride

N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride (PubChem CID 154578034) has the molecular formula C15H16Cl3N3OS and a molecular weight of 392.74 g/mol. Its IUPAC name is N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride
PubChem CID154578034
Molecular FormulaC15H16Cl3N3OS
Molecular Weight392.74 g/mol
Exact Mass391.01
IUPAC NameN-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride
SMILESCl.NCC1(c2ccccc2)CC(NC(=O)c2snc(Cl)c2Cl)C1
InChIInChI=1S/C15H15Cl2N3OS.ClH/c16-11-12(22-20-13(11)17)14(21)19-10-6-15(7-10,8-18)9-4-2-1-3-5-9;/h1-5,10H,6-8,18H2,(H,19,21);1H
InChIKeyGPYXDDCDNCKRJU-UHFFFAOYSA-N
XLogP3.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.74
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2-chloroacetyl)amino]methyl]-3-phenylcyclobutyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 154875703
N-[3-(aminomethyl)-3-phenylcyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 138052089
3,4-dichloro-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-thiazole-5-carboxamide
CID 163229545
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
CID 71184788
1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide
CID 136587104
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
CID 70296559
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
N-[3-[[(2-chloroacetyl)amino]methyl]-3-phenylcyclobutyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 154875797
3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine
CID 160689562
3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
CID 18721477
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91769760
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride (CID 154578034) is N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride is Cl.NCC1(c2ccccc2)CC(NC(=O)c2snc(Cl)c2Cl)C1.
What is the InChIKey of N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride?
The InChIKey is GPYXDDCDNCKRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS.ClH/c16-11-12(22-20-13(11)17)14(21)19-10-6-15(7-10,8-18)9-4-2-1-3-5-9;/h1-5,10H,6-8,18H2,(H,19,21);1H.
What are the key properties of N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride?
N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride has a molecular weight of 392.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-3-phenylcyclobutyl]-3,4-dichloro-1,2-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 154578034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).