5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide

C19H26N6O3S — CID 59208409

IUPAC5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide
SMILESCCNC(=O)Nc1ccc(-c2nc(C(=O)N(C)C)c(C(=O)NC(C)(C)C)s2)cn1
InChIInChI=1S/C19H26N6O3S/c1-7-20-18(28)22-12-9-8-11(10-21-12)16-23-13(17(27)25(5)6)14(29-16)15(26)24-19(2,3)4/h8-10H,7H2,1-6H3,(H,24,26)(H2,20,21,22,28)
InChIKeyGCCCLXDQJDNPIB-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.58
Rot. Bonds5

About 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide

5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide (PubChem CID 59208409) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide
PubChem CID59208409
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Name5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide
SMILESCCNC(=O)Nc1ccc(-c2nc(C(=O)N(C)C)c(C(=O)NC(C)(C)C)s2)cn1
InChIInChI=1S/C19H26N6O3S/c1-7-20-18(28)22-12-9-8-11(10-21-12)16-23-13(17(27)25(5)6)14(29-16)15(26)24-19(2,3)4/h8-10H,7H2,1-6H3,(H,24,26)(H2,20,21,22,28)
InChIKeyGCCCLXDQJDNPIB-UHFFFAOYSA-N
XLogP2.58
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-5-N-propan-2-yl-1,3-thiazole-4,5-dicarboxamide
CID 59208344
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide
CID 59208396
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
1-ethyl-3-[6-[6-(ethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 89172913
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(4-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337182
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337170
3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 59208491
N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 177473775
ethyl 4-(butylcarbamoyl)-2-[6-(ethylcarbamoylamino)-4-phenyl-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 59208375
N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propanamide
CID 123161282
2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342387
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide (CID 59208409) is 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide is CCNC(=O)Nc1ccc(-c2nc(C(=O)N(C)C)c(C(=O)NC(C)(C)C)s2)cn1.
What is the InChIKey of 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide?
The InChIKey is GCCCLXDQJDNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-7-20-18(28)22-12-9-8-11(10-21-12)16-23-13(17(27)25(5)6)14(29-16)15(26)24-19(2,3)4/h8-10H,7H2,1-6H3,(H,24,26)(H2,20,21,22,28).
What are the key properties of 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide?
5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide is sourced from PubChem (CID 59208409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).