4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide

C13H24N4O3S — CID 116664214

IUPAC4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H24N4O3S/c1-16(2)13-15-11(14)10(21-13)12(18)17(7-9-20-4)6-5-8-19-3/h5-9,14H2,1-4H3
InChIKeyVQZRKMQGEDMDMA-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.92
Rot. Bonds9

About 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116664214) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID116664214
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H24N4O3S/c1-16(2)13-15-11(14)10(21-13)12(18)17(7-9-20-4)6-5-8-19-3/h5-9,14H2,1-4H3
InChIKeyVQZRKMQGEDMDMA-UHFFFAOYSA-N
XLogP0.92
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
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-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672818
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664408
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
CID 116663507
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663408
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 116673980

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide (CID 116664214) is 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide is COCCCN(CCOC)C(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VQZRKMQGEDMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-16(2)13-15-11(14)10(21-13)12(18)17(7-9-20-4)6-5-8-19-3/h5-9,14H2,1-4H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).