methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate

C15H21N3O3S — CID 126840041

IUPACmethyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)c2csc(N3CCCCC3)n2)CC1
InChIInChI=1S/C15H21N3O3S/c1-21-13(20)15(5-6-15)10-16-12(19)11-9-22-14(17-11)18-7-3-2-4-8-18/h9H,2-8,10H2,1H3,(H,16,19)
InChIKeyNNUYVMNEEYWSLI-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.82
Rot. Bonds5

About methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 126840041) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID126840041
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Namemethyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)c2csc(N3CCCCC3)n2)CC1
InChIInChI=1S/C15H21N3O3S/c1-21-13(20)15(5-6-15)10-16-12(19)11-9-22-14(17-11)18-7-3-2-4-8-18/h9H,2-8,10H2,1H3,(H,16,19)
InChIKeyNNUYVMNEEYWSLI-UHFFFAOYSA-N
XLogP1.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 126828912
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 151079036
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
CID 166294874
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
methyl 2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxylate
CID 70845976
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520661

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate (CID 126840041) is methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CNC(=O)c2csc(N3CCCCC3)n2)CC1.
What is the InChIKey of methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is NNUYVMNEEYWSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-21-13(20)15(5-6-15)10-16-12(19)11-9-22-14(17-11)18-7-3-2-4-8-18/h9H,2-8,10H2,1H3,(H,16,19).
What are the key properties of methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 126840041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).