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

C13H21N5O2S — CID 116670296

IUPAC4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCC(=O)NC2CC2)s1
InChIInChI=1S/C13H21N5O2S/c1-13(2,3)18-12-17-10(14)9(21-12)11(20)15-6-8(19)16-7-4-5-7/h7H,4-6,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)
InChIKeyKEPKCHQVIGAQPQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.94
Rot. Bonds5

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

4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116670296) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
PubChem CID116670296
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCC(=O)NC2CC2)s1
InChIInChI=1S/C13H21N5O2S/c1-13(2,3)18-12-17-10(14)9(21-12)11(20)15-6-8(19)16-7-4-5-7/h7H,4-6,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)
InChIKeyKEPKCHQVIGAQPQ-UHFFFAOYSA-N
XLogP0.94
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268
4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide
CID 116673551
4-amino-2-(tert-butylamino)-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116662923
4-amino-2-(tert-butylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673285
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668835
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide (CID 116670296) is 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)NCC(=O)NC2CC2)s1.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KEPKCHQVIGAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-13(2,3)18-12-17-10(14)9(21-12)11(20)15-6-8(19)16-7-4-5-7/h7H,4-6,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).