3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide

C10H17N5OS — CID 103381043

IUPAC3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCCN1CCN(c2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C10H17N5OS/c1-2-14-3-5-15(6-4-14)10-7(9(12)16)8(11)13-17-10/h2-6H2,1H3,(H2,11,13)(H2,12,16)
InChIKeyHVBKPFNBFMHOIY-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.03
Rot. Bonds3

About 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide

3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103381043) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
PubChem CID103381043
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
SMILESCCN1CCN(c2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C10H17N5OS/c1-2-14-3-5-15(6-4-14)10-7(9(12)16)8(11)13-17-10/h2-6H2,1H3,(H2,11,13)(H2,12,16)
InChIKeyHVBKPFNBFMHOIY-UHFFFAOYSA-N
XLogP-0.03
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide (CID 103381043) is 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide is CCN1CCN(c2snc(N)c2C(N)=O)CC1.
What is the InChIKey of 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is HVBKPFNBFMHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-2-14-3-5-15(6-4-14)10-7(9(12)16)8(11)13-17-10/h2-6H2,1H3,(H2,11,13)(H2,12,16).
What are the key properties of 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide?
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 255.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).