4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide

C12H21N5OS — CID 63573567

IUPAC4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCN(C)CC1CCCN1Cc1csc(C(=O)NN)n1
InChIInChI=1S/C12H21N5OS/c1-16(2)7-10-4-3-5-17(10)6-9-8-19-12(14-9)11(18)15-13/h8,10H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyQIHOVFYFHPHIJM-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.27
Rot. Bonds5

About 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide

4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63573567) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63573567
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCN(C)CC1CCCN1Cc1csc(C(=O)NN)n1
InChIInChI=1S/C12H21N5OS/c1-16(2)7-10-4-3-5-17(10)6-9-8-19-12(14-9)11(18)15-13/h8,10H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyQIHOVFYFHPHIJM-UHFFFAOYSA-N
XLogP0.27
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 63578585
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103198388
4-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212106
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344059
4-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105768
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914
4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63578678
4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572610

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (CID 63573567) is 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is CN(C)CC1CCCN1Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is QIHOVFYFHPHIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-16(2)7-10-4-3-5-17(10)6-9-8-19-12(14-9)11(18)15-13/h8,10H,3-7,13H2,1-2H3,(H,15,18).
What are the key properties of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 283.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63573567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).