N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C12H20N4O2S — CID 111619164

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1nc(CNC(=O)N2CCCC2CO)cs1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-14-9(8-19-12)6-13-11(18)16-5-3-4-10(16)7-17/h8,10,17H,3-7H2,1-2H3,(H,13,18)
InChIKeyYWVXMDJZDPQJJW-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.88
Rot. Bonds4

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111619164) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111619164
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1nc(CNC(=O)N2CCCC2CO)cs1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-14-9(8-19-12)6-13-11(18)16-5-3-4-10(16)7-17/h8,10,17H,3-7H2,1-2H3,(H,13,18)
InChIKeyYWVXMDJZDPQJJW-UHFFFAOYSA-N
XLogP0.88
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
2-[[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380362
(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 124569412
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867527
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 111427948
(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 138992521
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111619164) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CN(C)c1nc(CNC(=O)N2CCCC2CO)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is YWVXMDJZDPQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)12-14-9(8-19-12)6-13-11(18)16-5-3-4-10(16)7-17/h8,10,17H,3-7H2,1-2H3,(H,13,18).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111619164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).