N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide

C17H22N4O2S — CID 146412637

IUPACN-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc2c(n1)CCN(C(C)c1cnc(NC(C)=O)s1)CC2
InChIInChI=1S/C17H22N4O2S/c1-11(15-10-18-17(24-15)19-12(2)22)21-8-6-13-4-5-16(23-3)20-14(13)7-9-21/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,22)
InChIKeyZBKWJGIPMRHIRB-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.67
Rot. Bonds4

About N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide

N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146412637) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146412637
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc2c(n1)CCN(C(C)c1cnc(NC(C)=O)s1)CC2
InChIInChI=1S/C17H22N4O2S/c1-11(15-10-18-17(24-15)19-12(2)22)21-8-6-13-4-5-16(23-3)20-14(13)7-9-21/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,22)
InChIKeyZBKWJGIPMRHIRB-UHFFFAOYSA-N
XLogP2.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415358
N-[7-[1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-yl]acetamide
CID 146412558
N-[7-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-yl]acetamide
CID 146412660
N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415285
N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 156576448
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415306
N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415363
N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
CID 154685614
N-[5-[7-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 146412658
N-[5-(6-methoxypyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872178
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide (CID 146412637) is N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide is COc1ccc2c(n1)CCN(C(C)c1cnc(NC(C)=O)s1)CC2.
What is the InChIKey of N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZBKWJGIPMRHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(15-10-18-17(24-15)19-12(2)22)21-8-6-13-4-5-16(23-3)20-14(13)7-9-21/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,22).
What are the key properties of N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146412637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).