3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H23N5O2S — CID 103380447

IUPAC3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCN(CC(=O)N(C)C)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H23N5O2S/c1-6-18(7-9(19)17(4)5)13-10(11(14)16-21-13)12(20)15-8(2)3/h8H,6-7H2,1-5H3,(H2,14,16)(H,15,20)
InChIKeySCCKCNNMNLMNFJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.78
Rot. Bonds6

About 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103380447) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103380447
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCN(CC(=O)N(C)C)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H23N5O2S/c1-6-18(7-9(19)17(4)5)13-10(11(14)16-21-13)12(20)15-8(2)3/h8H,6-7H2,1-5H3,(H2,14,16)(H,15,20)
InChIKeySCCKCNNMNLMNFJ-UHFFFAOYSA-N
XLogP0.78
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005
3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384824
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380759
3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379722

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103380447) is 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCN(CC(=O)N(C)C)c1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is SCCKCNNMNLMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-6-18(7-9(19)17(4)5)13-10(11(14)16-21-13)12(20)15-8(2)3/h8H,6-7H2,1-5H3,(H2,14,16)(H,15,20).
What are the key properties of 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).