2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide

C12H20N4OS — CID 62789140

IUPAC2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCN(CCNC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H20N4OS/c1-9-2-5-16(6-3-9)7-4-14-11(17)10-8-18-12(13)15-10/h8-9H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyWWILYVRWAWLHRR-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.19
Rot. Bonds4

About 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 62789140) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID62789140
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCN(CCNC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H20N4OS/c1-9-2-5-16(6-3-9)7-4-14-11(17)10-8-18-12(13)15-10/h8-9H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyWWILYVRWAWLHRR-UHFFFAOYSA-N
XLogP1.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 118795603
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42851064
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62975755
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 62789140) is 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide is CC1CCN(CCNC(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WWILYVRWAWLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9-2-5-16(6-3-9)7-4-14-11(17)10-8-18-12(13)15-10/h8-9H,2-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).