N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C15H19ClN4O2S2 — CID 55432428

IUPACN'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN4O2S2/c1-3-20(7-11-4-5-12(16)24-11)8-14(22)19-18-13(21)6-15-17-10(2)9-23-15/h4-5,9H,3,6-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMMUUPNPXXIRWPI-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.38
Rot. Bonds7

About N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 55432428) has the molecular formula C15H19ClN4O2S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID55432428
Molecular FormulaC15H19ClN4O2S2
Molecular Weight386.93 g/mol
Exact Mass386.06
IUPAC NameN'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN4O2S2/c1-3-20(7-11-4-5-12(16)24-11)8-14(22)19-18-13(21)6-15-17-10(2)9-23-15/h4-5,9H,3,6-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMMUUPNPXXIRWPI-UHFFFAOYSA-N
XLogP2.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 55432428) is N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)Cc1ccc(Cl)s1.
What is the InChIKey of N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is MMUUPNPXXIRWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S2/c1-3-20(7-11-4-5-12(16)24-11)8-14(22)19-18-13(21)6-15-17-10(2)9-23-15/h4-5,9H,3,6-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 386.93 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 55432428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).