4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide

C12H19N5O2S — CID 62793779

IUPAC4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C12H19N5O2S/c1-3-14-12(19)17-6-4-16(5-7-17)10(18)9-8(2)15-11(13)20-9/h3-7H2,1-2H3,(H2,13,15)(H,14,19)
InChIKeyJMFVEJBRZTZKRX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.52
Rot. Bonds2

About 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide

4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 62793779) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID62793779
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C12H19N5O2S/c1-3-14-12(19)17-6-4-16(5-7-17)10(18)9-8(2)15-11(13)20-9/h3-7H2,1-2H3,(H2,13,15)(H,14,19)
InChIKeyJMFVEJBRZTZKRX-UHFFFAOYSA-N
XLogP0.52
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide (CID 62793779) is 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2sc(N)nc2C)CC1.
What is the InChIKey of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is JMFVEJBRZTZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-14-12(19)17-6-4-16(5-7-17)10(18)9-8(2)15-11(13)20-9/h3-7H2,1-2H3,(H2,13,15)(H,14,19).
What are the key properties of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide?
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 62793779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).