N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C17H25N5OS — CID 56778651

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1csc(N2CCN(CC(=O)NC(C)(C#N)C3CC3)CC2C)n1
InChIInChI=1S/C17H25N5OS/c1-12-10-24-16(19-12)22-7-6-21(8-13(22)2)9-15(23)20-17(3,11-18)14-4-5-14/h10,13-14H,4-9H2,1-3H3,(H,20,23)
InChIKeyKVDYZMFGJAOBDO-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.77
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 56778651) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID56778651
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1csc(N2CCN(CC(=O)NC(C)(C#N)C3CC3)CC2C)n1
InChIInChI=1S/C17H25N5OS/c1-12-10-24-16(19-12)22-7-6-21(8-13(22)2)9-15(23)20-17(3,11-18)14-4-5-14/h10,13-14H,4-9H2,1-3H3,(H,20,23)
InChIKeyKVDYZMFGJAOBDO-UHFFFAOYSA-N
XLogP1.77
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 95336364
N,N-bis(cyanomethyl)-3-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 95345224
N-(1-cyano-1-cyclopropylethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]acetamide
CID 136533412
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 11923830
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31992247
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130441
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197
N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780742
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 95610268
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944915
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95308961
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 56778651) is N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is Cc1csc(N2CCN(CC(=O)NC(C)(C#N)C3CC3)CC2C)n1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is KVDYZMFGJAOBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-10-24-16(19-12)22-7-6-21(8-13(22)2)9-15(23)20-17(3,11-18)14-4-5-14/h10,13-14H,4-9H2,1-3H3,(H,20,23).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 347.49 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 56778651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).