4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

C20H25N5O5S — CID 23742268

IUPAC4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC2CCCC2)C(=O)c2snc(C(N)=O)c2N)c1
InChIInChI=1S/C20H25N5O5S/c1-29-12-7-8-14(30-2)13(9-12)25(10-15(26)23-11-5-3-4-6-11)20(28)18-16(21)17(19(22)27)24-31-18/h7-9,11H,3-6,10,21H2,1-2H3,(H2,22,27)(H,23,26)
InChIKeyLGWOUUHSICQQOC-UHFFFAOYSA-N
MW447.52 g/mol
LogP1.55
Rot. Bonds8

About 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 23742268) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID23742268
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC2CCCC2)C(=O)c2snc(C(N)=O)c2N)c1
InChIInChI=1S/C20H25N5O5S/c1-29-12-7-8-14(30-2)13(9-12)25(10-15(26)23-11-5-3-4-6-11)20(28)18-16(21)17(19(22)27)24-31-18/h7-9,11H,3-6,10,21H2,1-2H3,(H2,22,27)(H,23,26)
InChIKeyLGWOUUHSICQQOC-UHFFFAOYSA-N
XLogP1.55
TPSA149.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 23742268) is 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is COc1ccc(OC)c(N(CC(=O)NC2CCCC2)C(=O)c2snc(C(N)=O)c2N)c1.
What is the InChIKey of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is LGWOUUHSICQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-29-12-7-8-14(30-2)13(9-12)25(10-15(26)23-11-5-3-4-6-11)20(28)18-16(21)17(19(22)27)24-31-18/h7-9,11H,3-6,10,21H2,1-2H3,(H2,22,27)(H,23,26).
What are the key properties of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 447.52 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 23742268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).