5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide

C16H23N5O2S — CID 75435928

IUPAC5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(C)C)c1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C16H23N5O2S/c1-10(2)14-13(11(3)19-20-14)15(22)18-16-17-12(9-24-16)8-21-4-6-23-7-5-21/h9-10H,4-8H2,1-3H3,(H,19,20)(H,17,18,22)
InChIKeyXXJOAQKCGRYHPP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.38
Rot. Bonds5

About 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide

5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 75435928) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID75435928
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(C)C)c1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C16H23N5O2S/c1-10(2)14-13(11(3)19-20-14)15(22)18-16-17-12(9-24-16)8-21-4-6-23-7-5-21/h9-10H,4-8H2,1-3H3,(H,19,20)(H,17,18,22)
InChIKeyXXJOAQKCGRYHPP-UHFFFAOYSA-N
XLogP2.38
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide (CID 75435928) is 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C(C)C)c1C(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is XXJOAQKCGRYHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-10(2)14-13(11(3)19-20-14)15(22)18-16-17-12(9-24-16)8-21-4-6-23-7-5-21/h9-10H,4-8H2,1-3H3,(H,19,20)(H,17,18,22).
What are the key properties of 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide?
5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 75435928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).