4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116664503

IUPAC4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(NC(C)C)nc1N)C(C)COC
InChIInChI=1S/C13H24N4O2S/c1-6-17(9(4)7-19-5)12(18)10-11(14)16-13(20-10)15-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyMXKPAAMPJZYYMT-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.04
Rot. Bonds7

About 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664503) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664503
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(NC(C)C)nc1N)C(C)COC
InChIInChI=1S/C13H24N4O2S/c1-6-17(9(4)7-19-5)12(18)10-11(14)16-13(20-10)15-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyMXKPAAMPJZYYMT-UHFFFAOYSA-N
XLogP2.04
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664505
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674047
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664402
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-propan-2-yl-2-(propan-2-ylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672134
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116664503) is 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CCN(C(=O)c1sc(NC(C)C)nc1N)C(C)COC.
What is the InChIKey of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is MXKPAAMPJZYYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-6-17(9(4)7-19-5)12(18)10-11(14)16-13(20-10)15-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,16).
What are the key properties of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).