3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H23N5O2S — CID 103383654

IUPAC3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H23N5O2S/c1-7(2)16-11(20)9-10(14)18-21-12(9)15-6-8(19)17-13(3,4)5/h7,15H,6H2,1-5H3,(H2,14,18)(H,16,20)(H,17,19)
InChIKeyPQKXBGLJSDYCNJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.19
Rot. Bonds5

About 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103383654) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103383654
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H23N5O2S/c1-7(2)16-11(20)9-10(14)18-21-12(9)15-6-8(19)17-13(3,4)5/h7,15H,6H2,1-5H3,(H2,14,18)(H,16,20)(H,17,19)
InChIKeyPQKXBGLJSDYCNJ-UHFFFAOYSA-N
XLogP1.19
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103383654) is 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is PQKXBGLJSDYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-7(2)16-11(20)9-10(14)18-21-12(9)15-6-8(19)17-13(3,4)5/h7,15H,6H2,1-5H3,(H2,14,18)(H,16,20)(H,17,19).
What are the key properties of 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).