2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H18N4OS — CID 62793752

IUPAC2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H18N4OS/c1-7-10(18-12(13)14-7)11(17)15-8-4-6-16-5-2-3-9(8)16/h8-9H,2-6H2,1H3,(H2,13,14)(H,15,17)
InChIKeyDTEWLPCUDPAZGU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.00
Rot. Bonds2

About 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62793752) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62793752
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H18N4OS/c1-7-10(18-12(13)14-7)11(17)15-8-4-6-16-5-2-3-9(8)16/h8-9H,2-6H2,1H3,(H2,13,14)(H,15,17)
InChIKeyDTEWLPCUDPAZGU-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664088
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947223
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
CID 61264414
2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 104872552
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569926
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 80713116
5-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylthiophene-2-carboxamide
CID 79964116
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792040
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118773357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 62793752) is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DTEWLPCUDPAZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-10(18-12(13)14-7)11(17)15-8-4-6-16-5-2-3-9(8)16/h8-9H,2-6H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).