4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

C9H15FN4O2S — CID 114267276

IUPAC4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCCF)s1
InChIInChI=1S/C9H15FN4O2S/c1-16-5-4-13-9-14-7(11)6(17-9)8(15)12-3-2-10/h2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyKVYYQKVAUSJYDG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.48
Rot. Bonds7

About 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 114267276) has the molecular formula C9H15FN4O2S and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
PubChem CID114267276
Molecular FormulaC9H15FN4O2S
Molecular Weight262.31 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCCF)s1
InChIInChI=1S/C9H15FN4O2S/c1-16-5-4-13-9-14-7(11)6(17-9)8(15)12-3-2-10/h2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyKVYYQKVAUSJYDG-UHFFFAOYSA-N
XLogP0.48
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(morpholin-4-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135455532
4-Amino-2-(morpholin-4-yl)-1,3-thiazole-5-carboxamide
CID 13595332
2-(diethylamino)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135726634
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 105923485
4-amino-2-(cyclopropylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923486
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-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 105923488
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-2-(cyclobutylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923493

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (CID 114267276) is 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NCCF)s1.
What is the InChIKey of 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is KVYYQKVAUSJYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O2S/c1-16-5-4-13-9-14-7(11)6(17-9)8(15)12-3-2-10/h2-5,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoroethyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114267276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).