N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide

C18H25N5OS — CID 125012176

IUPACN-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)s1
InChIInChI=1S/C18H25N5OS/c1-11(2)23-7-5-6-14(10-23)15-8-20-16(9-19-15)17-12(3)21-18(25-17)22-13(4)24/h8-9,11,14H,5-7,10H2,1-4H3,(H,21,22,24)/t14-/m0/s1
InChIKeyVVPJLWOEMAISSZ-AWEZNQCLSA-N
MW359.50 g/mol
LogP3.45
Rot. Bonds4

About N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 125012176) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID125012176
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)s1
InChIInChI=1S/C18H25N5OS/c1-11(2)23-7-5-6-14(10-23)15-8-20-16(9-19-15)17-12(3)21-18(25-17)22-13(4)24/h8-9,11,14H,5-7,10H2,1-4H3,(H,21,22,24)/t14-/m0/s1
InChIKeyVVPJLWOEMAISSZ-AWEZNQCLSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide (CID 125012176) is N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)s1.
What is the InChIKey of N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VVPJLWOEMAISSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-11(2)23-7-5-6-14(10-23)15-8-20-16(9-19-15)17-12(3)21-18(25-17)22-13(4)24/h8-9,11,14H,5-7,10H2,1-4H3,(H,21,22,24)/t14-/m0/s1.
What are the key properties of N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 125012176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).