[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid

C7H11N3O2S — CID 139374899

IUPAC[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
SMILESCN(C)c1nc(CNC(=O)O)cs1
InChIInChI=1S/C7H11N3O2S/c1-10(2)6-9-5(4-13-6)3-8-7(11)12/h4,8H,3H2,1-2H3,(H,11,12)
InChIKeyLTLZFJNDZZEGOP-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.98
Rot. Bonds3

About [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid

[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid (PubChem CID 139374899) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
PubChem CID139374899
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
SMILESCN(C)c1nc(CNC(=O)O)cs1
InChIInChI=1S/C7H11N3O2S/c1-10(2)6-9-5(4-13-6)3-8-7(11)12/h4,8H,3H2,1-2H3,(H,11,12)
InChIKeyLTLZFJNDZZEGOP-UHFFFAOYSA-N
XLogP0.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111619168
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648
(1R,2R,3S,4R)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124864860
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
CID 86791470
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111619161
N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115726282
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111964323
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 56902393
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
CID 154759022

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid?
The IUPAC name of [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid (CID 139374899) is [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid.
What is the SMILES notation for [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid?
The canonical SMILES for [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid is CN(C)c1nc(CNC(=O)O)cs1.
What is the InChIKey of [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid?
The InChIKey is LTLZFJNDZZEGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-10(2)6-9-5(4-13-6)3-8-7(11)12/h4,8H,3H2,1-2H3,(H,11,12).
What are the key properties of [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid?
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid has a molecular weight of 201.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid is sourced from PubChem (CID 139374899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).