N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C16H23N5O2S — CID 75373709

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cnn(CCC(=O)N(CC2CN(C)CCO2)c2nccs2)c1
InChIInChI=1S/C16H23N5O2S/c1-13-9-18-20(10-13)5-3-15(22)21(16-17-4-8-24-16)12-14-11-19(2)6-7-23-14/h4,8-10,14H,3,5-7,11-12H2,1-2H3
InChIKeyJPZYQRZRMCKKRT-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.40
Rot. Bonds6

About N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 75373709) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID75373709
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cnn(CCC(=O)N(CC2CN(C)CCO2)c2nccs2)c1
InChIInChI=1S/C16H23N5O2S/c1-13-9-18-20(10-13)5-3-15(22)21(16-17-4-8-24-16)12-14-11-19(2)6-7-23-14/h4,8-10,14H,3,5-7,11-12H2,1-2H3
InChIKeyJPZYQRZRMCKKRT-UHFFFAOYSA-N
XLogP1.40
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 75373709) is N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1cnn(CCC(=O)N(CC2CN(C)CCO2)c2nccs2)c1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is JPZYQRZRMCKKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-13-9-18-20(10-13)5-3-15(22)21(16-17-4-8-24-16)12-14-11-19(2)6-7-23-14/h4,8-10,14H,3,5-7,11-12H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 75373709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).