4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

C12H22N4O2S — CID 116672171

IUPAC4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(CCOC)C(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-5-14-12-15-10(13)9(19-12)11(17)16(8(2)3)6-7-18-4/h8H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyZAVDDIDVXBWLMW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.65
Rot. Bonds7

About 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 116672171) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID116672171
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(CCOC)C(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-5-14-12-15-10(13)9(19-12)11(17)16(8(2)3)6-7-18-4/h8H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyZAVDDIDVXBWLMW-UHFFFAOYSA-N
XLogP1.65
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664408
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 116672171) is 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(CCOC)C(C)C)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZAVDDIDVXBWLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-14-12-15-10(13)9(19-12)11(17)16(8(2)3)6-7-18-4/h8H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).