(4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide

C18H28N4O2S — CID 75411855

IUPAC(4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCC[C@@H](NCC3CC3)CN(C)C(=O)C2)n1
InChIInChI=1S/C18H28N4O2S/c1-12-11-25-18(20-12)21-17(24)14-4-3-5-15(19-9-13-6-7-13)10-22(2)16(23)8-14/h11,13-15,19H,3-10H2,1-2H3,(H,20,21,24)/t14-,15-/m1/s1
InChIKeyMRBXIXXNGGJQRX-HUUCEWRRSA-N
MW364.52 g/mol
LogP2.41
Rot. Bonds5

About (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide

(4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide (PubChem CID 75411855) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide
PubChem CID75411855
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCC[C@@H](NCC3CC3)CN(C)C(=O)C2)n1
InChIInChI=1S/C18H28N4O2S/c1-12-11-25-18(20-12)21-17(24)14-4-3-5-15(19-9-13-6-7-13)10-22(2)16(23)8-14/h11,13-15,19H,3-10H2,1-2H3,(H,20,21,24)/t14-,15-/m1/s1
InChIKeyMRBXIXXNGGJQRX-HUUCEWRRSA-N
XLogP2.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide (CID 75411855) is (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide is Cc1csc(NC(=O)[C@@H]2CCC[C@@H](NCC3CC3)CN(C)C(=O)C2)n1.
What is the InChIKey of (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
The InChIKey is MRBXIXXNGGJQRX-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-12-11-25-18(20-12)21-17(24)14-4-3-5-15(19-9-13-6-7-13)10-22(2)16(23)8-14/h11,13-15,19H,3-10H2,1-2H3,(H,20,21,24)/t14-,15-/m1/s1.
What are the key properties of (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
(4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-(cyclopropylmethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).