N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate

C13H10Cl2N3O3S- — CID 19768839

IUPACN-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
SMILESO=C([O-])NCCNC(=O)c1ncsc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3S/c14-7-1-2-8(9(15)5-7)11-10(18-6-22-11)12(19)16-3-4-17-13(20)21/h1-2,5-6,17H,3-4H2,(H,16,19)(H,20,21)/p-1
InChIKeySNGGRDIBMGHSHZ-UHFFFAOYSA-M
MW359.21 g/mol
LogP1.78
Rot. Bonds5

About N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate

N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate (PubChem CID 19768839) has the molecular formula C13H10Cl2N3O3S- and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
PubChem CID19768839
Molecular FormulaC13H10Cl2N3O3S-
Molecular Weight359.21 g/mol
Exact Mass357.98
IUPAC NameN-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
SMILESO=C([O-])NCCNC(=O)c1ncsc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3S/c14-7-1-2-8(9(15)5-7)11-10(18-6-22-11)12(19)16-3-4-17-13(20)21/h1-2,5-6,17H,3-4H2,(H,16,19)(H,20,21)/p-1
InChIKeySNGGRDIBMGHSHZ-UHFFFAOYSA-M
XLogP1.78
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768541
N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 19768576
N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate
CID 21297320
N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768609
2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768577
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 19768623
N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 19768706
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110695986
N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
CID 130719830
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519348

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The IUPAC name of N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate (CID 19768839) is N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate is O=C([O-])NCCNC(=O)c1ncsc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The InChIKey is SNGGRDIBMGHSHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-7-1-2-8(9(15)5-7)11-10(18-6-22-11)12(19)16-3-4-17-13(20)21/h1-2,5-6,17H,3-4H2,(H,16,19)(H,20,21)/p-1.
What are the key properties of N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate has a molecular weight of 359.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 19768839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).