N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C18H18N4OS2 — CID 91472583

IUPACN-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NC3CCc4ccccc43)n2)s1
InChIInChI=1S/C18H18N4OS2/c1-10-16(25-18(19-10)20-11(2)23)15-9-24-17(22-15)21-14-8-7-12-5-3-4-6-13(12)14/h3-6,9,14H,7-8H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyOWONDCCNCIERQE-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.63
Rot. Bonds4

About N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 91472583) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID91472583
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC NameN-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NC3CCc4ccccc43)n2)s1
InChIInChI=1S/C18H18N4OS2/c1-10-16(25-18(19-10)20-11(2)23)15-9-24-17(22-15)21-14-8-7-12-5-3-4-6-13(12)14/h3-6,9,14H,7-8H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyOWONDCCNCIERQE-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 3329207
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium bromide
CID 18527007
N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 71478258
N-[5-[2-[(2-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11291515
2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544471
3-[4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid
CID 87682710
N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544054
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 11258329

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 91472583) is N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(NC3CCc4ccccc43)n2)s1.
What is the InChIKey of N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is OWONDCCNCIERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-10-16(25-18(19-10)20-11(2)23)15-9-24-17(22-15)21-14-8-7-12-5-3-4-6-13(12)14/h3-6,9,14H,7-8H2,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 91472583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).