2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C10H14N2O2S — CID 154733976

IUPAC2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(Cc1nc(C(=O)O)cs1)CC1CC1
InChIInChI=1S/C10H14N2O2S/c1-12(4-7-2-3-7)5-9-11-8(6-15-9)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyGKWSFILRYHKYHP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.68
Rot. Bonds5

About 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 154733976) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID154733976
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(Cc1nc(C(=O)O)cs1)CC1CC1
InChIInChI=1S/C10H14N2O2S/c1-12(4-7-2-3-7)5-9-11-8(6-15-9)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyGKWSFILRYHKYHP-UHFFFAOYSA-N
XLogP1.68
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 39160003
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697177
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-[(dipropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159949
4-[[cyclopentylmethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63632139
4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63711703
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 138003767
2-[2-[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373206
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-[(3-ethylazetidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 79688727

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 154733976) is 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CN(Cc1nc(C(=O)O)cs1)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GKWSFILRYHKYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12(4-7-2-3-7)5-9-11-8(6-15-9)10(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 154733976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).