2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C10H14N2O3S — CID 114358664

IUPAC2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(CNC2CC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-15-5-7-9(10(13)14)16-8(12-7)4-11-6-2-3-6/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyPBMBPRBEDMNNPI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.24
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114358664) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114358664
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(CNC2CC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-15-5-7-9(10(13)14)16-8(12-7)4-11-6-2-3-6/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyPBMBPRBEDMNNPI-UHFFFAOYSA-N
XLogP1.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114359934
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360077
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360811
N-[[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440685
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114358664) is 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(CNC2CC2)sc1C(=O)O.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PBMBPRBEDMNNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-5-7-9(10(13)14)16-8(12-7)4-11-6-2-3-6/h6,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).