N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide

C18H21N3O3S — CID 167859713

IUPACN-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C)c(OCC(=O)NC[C@@H]2C[C@@H]2NC(=O)c2cncs2)c1
InChIInChI=1S/C18H21N3O3S/c1-11-3-4-12(2)15(5-11)24-9-17(22)20-7-13-6-14(13)21-18(23)16-8-19-10-25-16/h3-5,8,10,13-14H,6-7,9H2,1-2H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1
InChIKeyGTNQNUWXWVIQSF-KBPBESRZSA-N
MW359.45 g/mol
LogP2.07
Rot. Bonds7

About N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide

N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 167859713) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide
PubChem CID167859713
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C)c(OCC(=O)NC[C@@H]2C[C@@H]2NC(=O)c2cncs2)c1
InChIInChI=1S/C18H21N3O3S/c1-11-3-4-12(2)15(5-11)24-9-17(22)20-7-13-6-14(13)21-18(23)16-8-19-10-25-16/h3-5,8,10,13-14H,6-7,9H2,1-2H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1
InChIKeyGTNQNUWXWVIQSF-KBPBESRZSA-N
XLogP2.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 33301642
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8872816
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide (CID 167859713) is N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide is Cc1ccc(C)c(OCC(=O)NC[C@@H]2C[C@@H]2NC(=O)c2cncs2)c1.
What is the InChIKey of N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GTNQNUWXWVIQSF-KBPBESRZSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-3-4-12(2)15(5-11)24-9-17(22)20-7-13-6-14(13)21-18(23)16-8-19-10-25-16/h3-5,8,10,13-14H,6-7,9H2,1-2H3,(H,20,22)(H,21,23)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide?
N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167859713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).