N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

C18H22N4O2S2 — CID 17444952

IUPACN-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)NC1CC1
InChIInChI=1S/C18H22N4O2S2/c23-16(19-14-1-2-14)10-21-4-6-22(7-5-21)17(24)9-15-12-26-18(20-15)13-3-8-25-11-13/h3,8,11-12,14H,1-2,4-7,9-10H2,(H,19,23)
InChIKeyVDDHGPMTDYEGPA-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.84
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 17444952) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID17444952
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)NC1CC1
InChIInChI=1S/C18H22N4O2S2/c23-16(19-14-1-2-14)10-21-4-6-22(7-5-21)17(24)9-15-12-26-18(20-15)13-3-8-25-11-13/h3,8,11-12,14H,1-2,4-7,9-10H2,(H,19,23)
InChIKeyVDDHGPMTDYEGPA-UHFFFAOYSA-N
XLogP1.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
2-[4-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39944903
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55950008
1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]-1,4-diazepan-5-one
CID 62047463
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909
2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 64605186
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 46470794
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 112819934
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 38385321
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130632
N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 8804931
N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 78817443

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (CID 17444952) is N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is VDDHGPMTDYEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c23-16(19-14-1-2-14)10-21-4-6-22(7-5-21)17(24)9-15-12-26-18(20-15)13-3-8-25-11-13/h3,8,11-12,14H,1-2,4-7,9-10H2,(H,19,23).
What are the key properties of N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17444952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).