N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide

C17H27N3OS — CID 119886626

IUPACN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C17H27N3OS/c21-16(11-18-10-13-6-7-13)19-9-8-17-20-15(12-22-17)14-4-2-1-3-5-14/h12-14,18H,1-11H2,(H,19,21)
InChIKeyYXKBMWDIZHDGQP-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.85
Rot. Bonds8

About N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119886626) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119886626
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C17H27N3OS/c21-16(11-18-10-13-6-7-13)19-9-8-17-20-15(12-22-17)14-4-2-1-3-5-14/h12-14,18H,1-11H2,(H,19,21)
InChIKeyYXKBMWDIZHDGQP-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide (CID 119886626) is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)NCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is YXKBMWDIZHDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c21-16(11-18-10-13-6-7-13)19-9-8-17-20-15(12-22-17)14-4-2-1-3-5-14/h12-14,18H,1-11H2,(H,19,21).
What are the key properties of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 321.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119886626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).