1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C18H26N4OS — CID 126441669

IUPAC1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)N[C@@H](C)CN(C)C
InChIInChI=1S/C18H26N4OS/c1-14(10-21(3)4)20-18(23)22(11-16-8-6-5-7-9-16)12-17-15(2)19-13-24-17/h5-9,13-14H,10-12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyKKOWVJBKJDAMON-AWEZNQCLSA-N
MW346.50 g/mol
LogP3.11
Rot. Bonds7

About 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 126441669) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID126441669
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)N[C@@H](C)CN(C)C
InChIInChI=1S/C18H26N4OS/c1-14(10-21(3)4)20-18(23)22(11-16-8-6-5-7-9-16)12-17-15(2)19-13-24-17/h5-9,13-14H,10-12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyKKOWVJBKJDAMON-AWEZNQCLSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 131929748
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CID 23988482
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 74241327
N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 131945511
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63838007
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CID 55260194
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]benzoic acid
CID 63837681
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42513270
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide;formic acid
CID 154915759

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 126441669) is 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CN(Cc1ccccc1)C(=O)N[C@@H](C)CN(C)C.
What is the InChIKey of 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is KKOWVJBKJDAMON-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-14(10-21(3)4)20-18(23)22(11-16-8-6-5-7-9-16)12-17-15(2)19-13-24-17/h5-9,13-14H,10-12H2,1-4H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 346.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 126441669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).