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

C17H25N5OS — CID 70779660

IUPACN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H25N5OS/c1-12-15(13(2)21(3)20-12)6-7-16(23)18-10-14-11-24-17(19-14)22-8-4-5-9-22/h11H,4-10H2,1-3H3,(H,18,23)
InChIKeyACHCBNPQXZWBMS-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.34
Rot. Bonds6

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

N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 70779660) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID70779660
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H25N5OS/c1-12-15(13(2)21(3)20-12)6-7-16(23)18-10-14-11-24-17(19-14)22-8-4-5-9-22/h11H,4-10H2,1-3H3,(H,18,23)
InChIKeyACHCBNPQXZWBMS-UHFFFAOYSA-N
XLogP2.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
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N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
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N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 70779660) is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCc1csc(N2CCCC2)n1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ACHCBNPQXZWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-15(13(2)21(3)20-12)6-7-16(23)18-10-14-11-24-17(19-14)22-8-4-5-9-22/h11H,4-10H2,1-3H3,(H,18,23).
What are the key properties of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 347.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 70779660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).