2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide

C12H20N4O2S — CID 56893628

IUPAC2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)NCC2(O)CCNC2)cs1
InChIInChI=1S/C12H20N4O2S/c1-16(2)5-10-15-9(6-19-10)11(17)14-8-12(18)3-4-13-7-12/h6,13,18H,3-5,7-8H2,1-2H3,(H,14,17)
InChIKeyQJGOLOLSDCNHRO-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.34
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide

2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56893628) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56893628
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)NCC2(O)CCNC2)cs1
InChIInChI=1S/C12H20N4O2S/c1-16(2)5-10-15-9(6-19-10)11(17)14-8-12(18)3-4-13-7-12/h6,13,18H,3-5,7-8H2,1-2H3,(H,14,17)
InChIKeyQJGOLOLSDCNHRO-UHFFFAOYSA-N
XLogP-0.34
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 95726024
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
CID 74234317
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 56893628) is 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide is CN(C)Cc1nc(C(=O)NCC2(O)CCNC2)cs1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QJGOLOLSDCNHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-16(2)5-10-15-9(6-19-10)11(17)14-8-12(18)3-4-13-7-12/h6,13,18H,3-5,7-8H2,1-2H3,(H,14,17).
What are the key properties of 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56893628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).