4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide

C12H20N4O3S — CID 116673299

IUPAC4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCC2(OC)CCOC2)s1
InChIInChI=1S/C12H20N4O3S/c1-3-14-11-16-9(13)8(20-11)10(17)15-6-12(18-2)4-5-19-7-12/h3-7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCOVFRVATTYBOCG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.69
Rot. Bonds6

About 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116673299) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116673299
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCC2(OC)CCOC2)s1
InChIInChI=1S/C12H20N4O3S/c1-3-14-11-16-9(13)8(20-11)10(17)15-6-12(18-2)4-5-19-7-12/h3-7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCOVFRVATTYBOCG-UHFFFAOYSA-N
XLogP0.69
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 105923485
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 105923487
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 105923489
4-amino-2-(tert-butylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923490
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 105923491
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 105923492
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 105923494
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 105923495
4-amino-2-(diethylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923497
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 105923498
4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 114267276
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116664480

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116673299) is 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCC2(OC)CCOC2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is COVFRVATTYBOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-14-11-16-9(13)8(20-11)10(17)15-6-12(18-2)4-5-19-7-12/h3-7,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).