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

C18H26N4OS — CID 117085099

IUPAC2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1csc(Nc2ccccc2)n1)C(C)C
InChIInChI=1S/C18H26N4OS/c1-13(2)22(14(3)4)11-10-19-17(23)16-12-24-18(21-16)20-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyOURZDGZRXCZBED-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.74
Rot. Bonds8

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

2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 117085099) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID117085099
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1csc(Nc2ccccc2)n1)C(C)C
InChIInChI=1S/C18H26N4OS/c1-13(2)22(14(3)4)11-10-19-17(23)16-12-24-18(21-16)20-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyOURZDGZRXCZBED-UHFFFAOYSA-N
XLogP3.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
methyl N-[3-[[4-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 23296372
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide (CID 117085099) is 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide is CC(C)N(CCNC(=O)c1csc(Nc2ccccc2)n1)C(C)C.
What is the InChIKey of 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OURZDGZRXCZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)22(14(3)4)11-10-19-17(23)16-12-24-18(21-16)20-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117085099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).