4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide

C17H24N6OS — CID 75092259

IUPAC4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)c1ccc(Nc2nc(N)c(C(=O)NC3CCCNC3)s2)cc1
InChIInChI=1S/C17H24N6OS/c1-23(2)13-7-5-11(6-8-13)21-17-22-15(18)14(25-17)16(24)20-12-4-3-9-19-10-12/h5-8,12,19H,3-4,9-10,18H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNNOGBJUNUASVPD-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 75092259) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID75092259
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)c1ccc(Nc2nc(N)c(C(=O)NC3CCCNC3)s2)cc1
InChIInChI=1S/C17H24N6OS/c1-23(2)13-7-5-11(6-8-13)21-17-22-15(18)14(25-17)16(24)20-12-4-3-9-19-10-12/h5-8,12,19H,3-4,9-10,18H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNNOGBJUNUASVPD-UHFFFAOYSA-N
XLogP2.02
TPSA95.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107364
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092258
3-(carbamoylamino)-5-[4-(dimethylamino)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077101
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
CID 157403959
7-[4-(dimethylamino)phenyl]-6-oxo-N-[(3R)-piperidin-3-yl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
CID 129220090
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
4-amino-2-(tert-butylamino)-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116662923
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide (CID 75092259) is 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide is CN(C)c1ccc(Nc2nc(N)c(C(=O)NC3CCCNC3)s2)cc1.
What is the InChIKey of 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NNOGBJUNUASVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-23(2)13-7-5-11(6-8-13)21-17-22-15(18)14(25-17)16(24)20-12-4-3-9-19-10-12/h5-8,12,19H,3-4,9-10,18H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(dimethylamino)anilino]-N-piperidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75092259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).