3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

C17H23N5O3S — CID 108801704

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C17H23N5O3S/c1-12-4-2-3-7-22(12)11-13-10-18-16(26-13)19-14(23)5-8-21-9-6-15(24)20-17(21)25/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19,23)(H,20,24,25)
InChIKeyZZJHVHBXZWYSEM-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.40
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 108801704) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID108801704
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C17H23N5O3S/c1-12-4-2-3-7-22(12)11-13-10-18-16(26-13)19-14(23)5-8-21-9-6-15(24)20-17(21)25/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19,23)(H,20,24,25)
InChIKeyZZJHVHBXZWYSEM-UHFFFAOYSA-N
XLogP1.40
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (CID 108801704) is 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is CC1CCCCN1Cc1cnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZZJHVHBXZWYSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-12-4-2-3-7-22(12)11-13-10-18-16(26-13)19-14(23)5-8-21-9-6-15(24)20-17(21)25/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19,23)(H,20,24,25).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 108801704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).