N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide

C15H17N5O2S — CID 131898502

IUPACN'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)N(Cc1ccncc1)C1CC1)Nc1nncs1
InChIInChI=1S/C15H17N5O2S/c21-13(18-15-19-17-10-23-15)3-4-14(22)20(12-1-2-12)9-11-5-7-16-8-6-11/h5-8,10,12H,1-4,9H2,(H,18,19,21)
InChIKeyOUCSSGIEQCNYGS-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.84
Rot. Bonds7

About N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide

N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 131898502) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID131898502
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)N(Cc1ccncc1)C1CC1)Nc1nncs1
InChIInChI=1S/C15H17N5O2S/c21-13(18-15-19-17-10-23-15)3-4-14(22)20(12-1-2-12)9-11-5-7-16-8-6-11/h5-8,10,12H,1-4,9H2,(H,18,19,21)
InChIKeyOUCSSGIEQCNYGS-UHFFFAOYSA-N
XLogP1.84
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
CID 56755534
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
1-cyclopropyl-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874979
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide
CID 70763922

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide (CID 131898502) is N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide is O=C(CCC(=O)N(Cc1ccncc1)C1CC1)Nc1nncs1.
What is the InChIKey of N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is OUCSSGIEQCNYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c21-13(18-15-19-17-10-23-15)3-4-14(22)20(12-1-2-12)9-11-5-7-16-8-6-11/h5-8,10,12H,1-4,9H2,(H,18,19,21).
What are the key properties of N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide?
N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 331.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(pyridin-4-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 131898502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).