3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

C12H22N4O3S — CID 103380390

IUPAC3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(CCCOC)CCOC
InChIInChI=1S/C12H22N4O3S/c1-14-11(17)9-10(13)15-20-12(9)16(6-8-19-3)5-4-7-18-2/h4-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyKXDCZNNMGJNPIE-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.57
Rot. Bonds9

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

3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380390) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380390
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(CCCOC)CCOC
InChIInChI=1S/C12H22N4O3S/c1-14-11(17)9-10(13)15-20-12(9)16(6-8-19-3)5-4-7-18-2/h4-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyKXDCZNNMGJNPIE-UHFFFAOYSA-N
XLogP0.57
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380383
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380561
3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380305
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380711
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383364
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381914
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380390) is 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(CCCOC)CCOC.
What is the InChIKey of 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is KXDCZNNMGJNPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-14-11(17)9-10(13)15-20-12(9)16(6-8-19-3)5-4-7-18-2/h4-8H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).