4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide

C12H20N4OS — CID 63579115

IUPAC4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)N(Cc1csc(C(=O)NN)n1)CC1CC1
InChIInChI=1S/C12H20N4OS/c1-8(2)16(5-9-3-4-9)6-10-7-18-12(14-10)11(17)15-13/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeySXAWIBSWKVRQEG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.37
Rot. Bonds6

About 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63579115) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63579115
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)N(Cc1csc(C(=O)NN)n1)CC1CC1
InChIInChI=1S/C12H20N4OS/c1-8(2)16(5-9-3-4-9)6-10-7-18-12(14-10)11(17)15-13/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeySXAWIBSWKVRQEG-UHFFFAOYSA-N
XLogP1.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63568512
4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63584999
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55227227
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573567
4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583083
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63579115) is 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CC(C)N(Cc1csc(C(=O)NN)n1)CC1CC1.
What is the InChIKey of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is SXAWIBSWKVRQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)16(5-9-3-4-9)6-10-7-18-12(14-10)11(17)15-13/h7-9H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 268.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63579115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).