4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C13H25N5OS — CID 116664036

IUPAC4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C13H25N5OS/c1-8(2)6-9(7-18(4)5)16-12(19)10-11(14)17-13(15-3)20-10/h8-9H,6-7,14H2,1-5H3,(H,15,17)(H,16,19)
InChIKeyUBSDLQQWSDEXOC-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.47
Rot. Bonds7

About 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664036) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664036
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C13H25N5OS/c1-8(2)6-9(7-18(4)5)16-12(19)10-11(14)17-13(15-3)20-10/h8-9H,6-7,14H2,1-5H3,(H,15,17)(H,16,19)
InChIKeyUBSDLQQWSDEXOC-UHFFFAOYSA-N
XLogP1.47
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116664036) is 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NC(CC(C)C)CN(C)C)s1.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is UBSDLQQWSDEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-8(2)6-9(7-18(4)5)16-12(19)10-11(14)17-13(15-3)20-10/h8-9H,6-7,14H2,1-5H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).