4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide

C12H21N5O3S — CID 106918867

IUPAC4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C12H21N5O3S/c1-14-8(18)4-6-17(2)11(19)9-10(13)16-12(21-9)15-5-7-20-3/h4-7,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyBDZDSALEWNNSGQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.01
Rot. Bonds8

About 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide

4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 106918867) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
PubChem CID106918867
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C12H21N5O3S/c1-14-8(18)4-6-17(2)11(19)9-10(13)16-12(21-9)15-5-7-20-3/h4-7,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyBDZDSALEWNNSGQ-UHFFFAOYSA-N
XLogP-0.01
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116669742
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673108
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106918863
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830
4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116672171
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698
4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106150408

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide (CID 106918867) is 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide is CNC(=O)CCN(C)C(=O)c1sc(NCCOC)nc1N.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BDZDSALEWNNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-14-8(18)4-6-17(2)11(19)9-10(13)16-12(21-9)15-5-7-20-3/h4-7,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106918867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).