4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 106029168

IUPAC4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
SMILESCCCCC(CCC)NC(=O)c1sc(NC)nc1N
InChIInChI=1S/C13H24N4OS/c1-4-6-8-9(7-5-2)16-12(18)10-11(14)17-13(15-3)19-10/h9H,4-8,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBEXRFFPLTFKFIX-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.86
Rot. Bonds8

About 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 106029168) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
PubChem CID106029168
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
SMILESCCCCC(CCC)NC(=O)c1sc(NC)nc1N
InChIInChI=1S/C13H24N4OS/c1-4-6-8-9(7-5-2)16-12(18)10-11(14)17-13(15-3)19-10/h9H,4-8,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBEXRFFPLTFKFIX-UHFFFAOYSA-N
XLogP2.86
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665199
4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029167
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106118701
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116664036
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846
propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 116674040
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide (CID 106029168) is 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide is CCCCC(CCC)NC(=O)c1sc(NC)nc1N.
What is the InChIKey of 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BEXRFFPLTFKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-6-8-9(7-5-2)16-12(18)10-11(14)17-13(15-3)19-10/h9H,4-8,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106029168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).