4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide

C11H20N4O2S — CID 116670684

IUPAC4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CCO)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C11H20N4O2S/c1-11(2,3)14-10-13-8(12)7(18-10)9(17)15(4)5-6-16/h16H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyDCHMHRBLQCFVSO-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.00
Rot. Bonds4

About 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116670684) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116670684
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CCO)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C11H20N4O2S/c1-11(2,3)14-10-13-8(12)7(18-10)9(17)15(4)5-6-16/h16H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyDCHMHRBLQCFVSO-UHFFFAOYSA-N
XLogP1.00
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669855
4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 116673353
4-amino-N-butyl-2-(tert-butylamino)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116668319
4-amino-2-(tert-butylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663310
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116666481
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116664274
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116666650

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide (CID 116670684) is 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide is CN(CCO)C(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DCHMHRBLQCFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-11(2,3)14-10-13-8(12)7(18-10)9(17)15(4)5-6-16/h16H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).