3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea

C14H15Cl2N3OS — CID 127265828

IUPAC3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
SMILESC[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3OS/c1-9(12-4-3-10(15)5-13(12)16)18-14(20)19(2)6-11-7-21-8-17-11/h3-5,7-9H,6H2,1-2H3,(H,18,20)/t9-/m1/s1
InChIKeyNKMRDMHAHZINGL-SECBINFHSA-N
MW344.27 g/mol
LogP4.35
Rot. Bonds4

About 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea

3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 127265828) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
PubChem CID127265828
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
SMILESC[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3OS/c1-9(12-4-3-10(15)5-13(12)16)18-14(20)19(2)6-11-7-21-8-17-11/h3-5,7-9H,6H2,1-2H3,(H,18,20)/t9-/m1/s1
InChIKeyNKMRDMHAHZINGL-SECBINFHSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
2-hydroxy-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 107839327
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
3-[[(1S)-1-(2,5-dichlorophenyl)ethyl]carbamoyl-methylamino]propanoic acid
CID 122010888
3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120110

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea (CID 127265828) is 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea is C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is NKMRDMHAHZINGL-SECBINFHSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-9(12-4-3-10(15)5-13(12)16)18-14(20)19(2)6-11-7-21-8-17-11/h3-5,7-9H,6H2,1-2H3,(H,18,20)/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea?
3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 344.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 127265828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).