3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide

C12H21N5OS — CID 103379243

IUPAC3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCCN1CCC(CNc2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C12H21N5OS/c1-2-17-5-3-8(4-6-17)7-15-12-9(11(14)18)10(13)16-19-12/h8,15H,2-7H2,1H3,(H2,13,16)(H2,14,18)
InChIKeyFUNMKSCEKYHKHV-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103379243) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID103379243
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCCN1CCC(CNc2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C12H21N5OS/c1-2-17-5-3-8(4-6-17)7-15-12-9(11(14)18)10(13)16-19-12/h8,15H,2-7H2,1H3,(H2,13,16)(H2,14,18)
InChIKeyFUNMKSCEKYHKHV-UHFFFAOYSA-N
XLogP0.97
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383179
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
ethyl 3-amino-5-[(4-ethylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103384498
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
CID 114133625

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide (CID 103379243) is 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide is CCN1CCC(CNc2snc(N)c2C(N)=O)CC1.
What is the InChIKey of 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is FUNMKSCEKYHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-17-5-3-8(4-6-17)7-15-12-9(11(14)18)10(13)16-19-12/h8,15H,2-7H2,1H3,(H2,13,16)(H2,14,18).
What are the key properties of 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).