N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide

C15H21N5O2S — CID 146119025

IUPACN-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1Cc1nccs1
InChIInChI=1S/C15H21N5O2S/c1-11(21)18-12-6-17-20(7-12)13-5-14(10-22-2)19(8-13)9-15-16-3-4-23-15/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyVVUFNUYDBWTEIK-KBPBESRZSA-N
MW335.43 g/mol
LogP1.76
Rot. Bonds6

About N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide

N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide (PubChem CID 146119025) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
PubChem CID146119025
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1Cc1nccs1
InChIInChI=1S/C15H21N5O2S/c1-11(21)18-12-6-17-20(7-12)13-5-14(10-22-2)19(8-13)9-15-16-3-4-23-15/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyVVUFNUYDBWTEIK-KBPBESRZSA-N
XLogP1.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 51092038
1-[1-(Oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71867120
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 71981534
1-Methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 71984817
1-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 71984818
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745582
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745592
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 54868537
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 60983421
1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-4-amine
CID 62758693
1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 62998323
1-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 63656819

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide (CID 146119025) is N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide is COC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1Cc1nccs1.
What is the InChIKey of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is VVUFNUYDBWTEIK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11(21)18-12-6-17-20(7-12)13-5-14(10-22-2)19(8-13)9-15-16-3-4-23-15/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 146119025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).