2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide

C17H22N4OS2 — CID 119869869

IUPAC2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cs1
InChIInChI=1S/C17H22N4OS2/c18-11-16-20-15(12-24-16)17(22)19-14-3-1-13(2-4-14)5-6-21-7-9-23-10-8-21/h1-4,12H,5-11,18H2,(H,19,22)
InChIKeyVBCJGDFEGNRBOZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.45
Rot. Bonds6

About 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119869869) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID119869869
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Name2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cs1
InChIInChI=1S/C17H22N4OS2/c18-11-16-20-15(12-24-16)17(22)19-14-3-1-13(2-4-14)5-6-21-7-9-23-10-8-21/h1-4,12H,5-11,18H2,(H,19,22)
InChIKeyVBCJGDFEGNRBOZ-UHFFFAOYSA-N
XLogP2.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119749382
2-(aminomethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119869794
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-(aminomethyl)-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 119848862
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-[3-(thiomorpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119759636
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119902608
3-amino-2-methyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
CID 120503508
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]benzamide;dihydrochloride
CID 119869864
2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119889603
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 119869869) is 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VBCJGDFEGNRBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c18-11-16-20-15(12-24-16)17(22)19-14-3-1-13(2-4-14)5-6-21-7-9-23-10-8-21/h1-4,12H,5-11,18H2,(H,19,22).
What are the key properties of 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119869869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).