4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116666874

IUPAC4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(COC)NC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C13H24N4O2S/c1-5-9(8-19-4)15-12(18)10-11(14)16-13(20-10)17(6-2)7-3/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyCCVSWOBCCPPFEH-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.73
Rot. Bonds8

About 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116666874) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116666874
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(COC)NC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C13H24N4O2S/c1-5-9(8-19-4)15-12(18)10-11(14)16-13(20-10)17(6-2)7-3/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyCCVSWOBCCPPFEH-UHFFFAOYSA-N
XLogP1.73
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 106163749
4-amino-2-(diethylamino)-N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116673688
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116672740
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116666579
4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
CID 116666618
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide (CID 116666874) is 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide is CCC(COC)NC(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CCVSWOBCCPPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-9(8-19-4)15-12(18)10-11(14)16-13(20-10)17(6-2)7-3/h9H,5-8,14H2,1-4H3,(H,15,18).
What are the key properties of 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).