4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C14H18N4O2S — CID 102909079

IUPAC4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccccc2CCOC)s1
InChIInChI=1S/C14H18N4O2S/c1-16-14-18-12(15)11(21-14)13(19)17-10-6-4-3-5-9(10)7-8-20-2/h3-6H,7-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPDDVDSWGPBECG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.21
Rot. Bonds6

About 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 102909079) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID102909079
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccccc2CCOC)s1
InChIInChI=1S/C14H18N4O2S/c1-16-14-18-12(15)11(21-14)13(19)17-10-6-4-3-5-9(10)7-8-20-2/h3-6H,7-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPDDVDSWGPBECG-UHFFFAOYSA-N
XLogP2.21
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668043
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 116665362
2-amino-3-fluoro-N-[2-(2-methoxyethyl)phenyl]pyridine-4-carboxamide
CID 102907943
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
4-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-2-carboxamide
CID 102907947
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 102909079) is 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2ccccc2CCOC)s1.
What is the InChIKey of 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HPDDVDSWGPBECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-14-18-12(15)11(21-14)13(19)17-10-6-4-3-5-9(10)7-8-20-2/h3-6H,7-8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 102909079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).