4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

C13H23N5OS — CID 116671812

IUPAC4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC2CCN(C)C(C)C2)s1
InChIInChI=1S/C13H23N5OS/c1-4-15-13-17-11(14)10(20-13)12(19)16-9-5-6-18(3)8(2)7-9/h8-9H,4-7,14H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyRLXVEMJCCBGNRC-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671812) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671812
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC2CCN(C)C(C)C2)s1
InChIInChI=1S/C13H23N5OS/c1-4-15-13-17-11(14)10(20-13)12(19)16-9-5-6-18(3)8(2)7-9/h8-9H,4-7,14H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyRLXVEMJCCBGNRC-UHFFFAOYSA-N
XLogP1.37
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116671810
4-amino-N-(3,5-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667071
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116665405
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664088
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 116672250
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 116671812) is 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NC2CCN(C)C(C)C2)s1.
What is the InChIKey of 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RLXVEMJCCBGNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-4-15-13-17-11(14)10(20-13)12(19)16-9-5-6-18(3)8(2)7-9/h8-9H,4-7,14H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).