N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

C21H37N5O2S — CID 117084688

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1)C(C)C
InChIInChI=1S/C21H37N5O2S/c1-16(2)26(17(3)4)10-7-22-20(27)19-15-23-21(29-19)25-8-5-18(6-9-25)24-11-13-28-14-12-24/h15-18H,5-14H2,1-4H3,(H,22,27)
InChIKeyARONIFKPSLTIDC-UHFFFAOYSA-N
MW423.63 g/mol
LogP2.29
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117084688) has the molecular formula C21H37N5O2S and a molecular weight of 423.63 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID117084688
Molecular FormulaC21H37N5O2S
Molecular Weight423.63 g/mol
Exact Mass423.27
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1)C(C)C
InChIInChI=1S/C21H37N5O2S/c1-16(2)26(17(3)4)10-7-22-20(27)19-15-23-21(29-19)25-8-5-18(6-9-25)24-11-13-28-14-12-24/h15-18H,5-14H2,1-4H3,(H,22,27)
InChIKeyARONIFKPSLTIDC-UHFFFAOYSA-N
XLogP2.29
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-Carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487944
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
2-amino-N-methyl-N-(4-morpholin-4-ylbutyl)-1,3-thiazole-5-carboxamide
CID 124218298
5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136983866
N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 139263977
2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080482
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117080578
N-cyclopropyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117081630
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 117081754
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-(2-morpholin-4-ylethyl)-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117082097
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082139

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (CID 117084688) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is CC(C)N(CCNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ARONIFKPSLTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2S/c1-16(2)26(17(3)4)10-7-22-20(27)19-15-23-21(29-19)25-8-5-18(6-9-25)24-11-13-28-14-12-24/h15-18H,5-14H2,1-4H3,(H,22,27).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 423.63 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).