4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide

C16H19N5O2S2 — CID 87871705

IUPAC4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2Sc2cnc(N)s2)CC1
InChIInChI=1S/C16H19N5O2S2/c1-11(22)20-6-8-21(9-7-20)16(23)19-12-4-2-3-5-13(12)24-14-10-18-15(17)25-14/h2-5,10H,6-9H2,1H3,(H2,17,18)(H,19,23)
InChIKeyVINWGLRNBWYHIU-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.57
Rot. Bonds3

About 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide

4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide (PubChem CID 87871705) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide
PubChem CID87871705
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2Sc2cnc(N)s2)CC1
InChIInChI=1S/C16H19N5O2S2/c1-11(22)20-6-8-21(9-7-20)16(23)19-12-4-2-3-5-13(12)24-14-10-18-15(17)25-14/h2-5,10H,6-9H2,1H3,(H2,17,18)(H,19,23)
InChIKeyVINWGLRNBWYHIU-UHFFFAOYSA-N
XLogP2.57
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
CID 13178286
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CID 47191929
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
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4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
CID 110178200
4-methyl-N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide
CID 22985671
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698122
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71572647

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide (CID 87871705) is 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccccc2Sc2cnc(N)s2)CC1.
What is the InChIKey of 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
The InChIKey is VINWGLRNBWYHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-11(22)20-6-8-21(9-7-20)16(23)19-12-4-2-3-5-13(12)24-14-10-18-15(17)25-14/h2-5,10H,6-9H2,1H3,(H2,17,18)(H,19,23).
What are the key properties of 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide?
4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide has a molecular weight of 377.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 87871705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).