4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

C12H21N5O2S — CID 116667610

IUPAC4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C12H21N5O2S/c1-19-7-4-15-11(18)9-10(14)16-12(20-9)17-5-2-8(13)3-6-17/h8H,2-7,13-14H2,1H3,(H,15,18)
InChIKeyUAMXNXOESDMWIT-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.03
Rot. Bonds5

About 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116667610) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID116667610
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C12H21N5O2S/c1-19-7-4-15-11(18)9-10(14)16-12(20-9)17-5-2-8(13)3-6-17/h8H,2-7,13-14H2,1H3,(H,15,18)
InChIKeyUAMXNXOESDMWIT-UHFFFAOYSA-N
XLogP0.03
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-aminoethyl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116662899
4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116662970
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667664
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116665544
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666789
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116670116
4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116672973

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide (CID 116667610) is 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide is COCCNC(=O)c1sc(N2CCC(N)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UAMXNXOESDMWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-19-7-4-15-11(18)9-10(14)16-12(20-9)17-5-2-8(13)3-6-17/h8H,2-7,13-14H2,1H3,(H,15,18).
What are the key properties of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).