(2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide

C14H22N6OS — CID 125175244

IUPAC(2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1n[nH]c(C)c1CCCN(C)[C@H](C)C(=O)Nc1nncs1
InChIInChI=1S/C14H22N6OS/c1-9-12(10(2)18-17-9)6-5-7-20(4)11(3)13(21)16-14-19-15-8-22-14/h8,11H,5-7H2,1-4H3,(H,17,18)(H,16,19,21)/t11-/m1/s1
InChIKeyKEAUCWBHLZBGGM-LLVKDONJSA-N
MW322.44 g/mol
LogP1.77
Rot. Bonds7

About (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 125175244) has the molecular formula C14H22N6OS and a molecular weight of 322.44 g/mol. Its IUPAC name is (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID125175244
Molecular FormulaC14H22N6OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC Name(2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1n[nH]c(C)c1CCCN(C)[C@H](C)C(=O)Nc1nncs1
InChIInChI=1S/C14H22N6OS/c1-9-12(10(2)18-17-9)6-5-7-20(4)11(3)13(21)16-14-19-15-8-22-14/h8,11H,5-7H2,1-4H3,(H,17,18)(H,16,19,21)/t11-/m1/s1
InChIKeyKEAUCWBHLZBGGM-LLVKDONJSA-N
XLogP1.77
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 118787807
2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 171134904
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]-2-phenylacetic acid
CID 72873742
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 29258366
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,1-dimethylindole-3-carboxamide
CID 91797561
(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124844642
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
CID 119059144
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 71867002
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 77094011
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 125175244) is (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide is Cc1n[nH]c(C)c1CCCN(C)[C@H](C)C(=O)Nc1nncs1.
What is the InChIKey of (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KEAUCWBHLZBGGM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N6OS/c1-9-12(10(2)18-17-9)6-5-7-20(4)11(3)13(21)16-14-19-15-8-22-14/h8,11H,5-7H2,1-4H3,(H,17,18)(H,16,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 322.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 125175244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).