4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116673353

IUPAC4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCCO)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C13H24N4O2S/c1-5-17(7-6-8-18)11(19)9-10(14)15-12(20-9)16-13(2,3)4/h18H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyMKQDNBFDCOEIBO-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.78
Rot. Bonds6

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

4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116673353) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID116673353
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCCO)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C13H24N4O2S/c1-5-17(7-6-8-18)11(19)9-10(14)15-12(20-9)16-13(2,3)4/h18H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyMKQDNBFDCOEIBO-UHFFFAOYSA-N
XLogP1.78
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-butyl-2-(tert-butylamino)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116668319
4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116666481
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 102999162
4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669855
4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663250
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
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-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668835

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 116673353) is 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide is CCN(CCCO)C(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MKQDNBFDCOEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-17(7-6-8-18)11(19)9-10(14)15-12(20-9)16-13(2,3)4/h18H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.78, 6 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-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).