N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C17H18N4OS2 — CID 25345762

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)n1
InChIInChI=1S/C17H18N4OS2/c1-12-10-23-17(19-12)24-11-14(22)20-15(13-6-4-3-5-7-13)16-18-8-9-21(16)2/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyRXHYXNVRIRVGGO-OAHLLOKOSA-N
MW358.49 g/mol
LogP3.18
Rot. Bonds6

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 25345762) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID25345762
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)n1
InChIInChI=1S/C17H18N4OS2/c1-12-10-23-17(19-12)24-11-14(22)20-15(13-6-4-3-5-7-13)16-18-8-9-21(16)2/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyRXHYXNVRIRVGGO-OAHLLOKOSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40795360
N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8002458
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(1S)-1,2-diphenylethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8538466
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 43038015
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 24597080
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55457413
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499952

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 25345762) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)n1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RXHYXNVRIRVGGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-12-10-23-17(19-12)24-11-14(22)20-15(13-6-4-3-5-7-13)16-18-8-9-21(16)2/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 25345762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).