6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide

C16H26N4O2S — CID 42793787

IUPAC6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
SMILESCc1nc(NC(=O)CN(C(=O)CCCCCN)C2CC2)sc1C
InChIInChI=1S/C16H26N4O2S/c1-11-12(2)23-16(18-11)19-14(21)10-20(13-7-8-13)15(22)6-4-3-5-9-17/h13H,3-10,17H2,1-2H3,(H,18,19,21)
InChIKeyBDWIMMYMUDTVJU-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.21
Rot. Bonds9

About 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide

6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide (PubChem CID 42793787) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
PubChem CID42793787
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
SMILESCc1nc(NC(=O)CN(C(=O)CCCCCN)C2CC2)sc1C
InChIInChI=1S/C16H26N4O2S/c1-11-12(2)23-16(18-11)19-14(21)10-20(13-7-8-13)15(22)6-4-3-5-9-17/h13H,3-10,17H2,1-2H3,(H,18,19,21)
InChIKeyBDWIMMYMUDTVJU-UHFFFAOYSA-N
XLogP2.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide?
The IUPAC name of 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide (CID 42793787) is 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide?
The canonical SMILES for 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide is Cc1nc(NC(=O)CN(C(=O)CCCCCN)C2CC2)sc1C.
What is the InChIKey of 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide?
The InChIKey is BDWIMMYMUDTVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11-12(2)23-16(18-11)19-14(21)10-20(13-7-8-13)15(22)6-4-3-5-9-17/h13H,3-10,17H2,1-2H3,(H,18,19,21).
What are the key properties of 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide?
6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide has a molecular weight of 338.48 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 42793787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).